AMBER Archive (2006) - May 2006 By DateMost recent messages
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Starting: Mon May 01 2006 - 08:35:56 CDT
Ending: Wed May 31 2006 - 18:27:16 CDT
- Re: AMBER: Amber 9, sander imin = 5, -y flag Carlos Simmerling (Mon May 01 2006 - 08:35:56 CDT)
- Re: AMBER: error propagation in MM-PBSA binding free energy calculation Jianyin Shao (Mon May 01 2006 - 12:17:04 CDT)
- AMBER: sequential execution of number of parallel jobs In Hee Park (Mon May 01 2006 - 15:13:23 CDT)
- Re: AMBER: internal coordinates David A. Case (Mon May 01 2006 - 15:50:10 CDT)
- AMBER: distance restraints mkseo (Mon May 01 2006 - 16:49:21 CDT)
- AMBER: some new tutorials David A. Case (Mon May 01 2006 - 18:55:19 CDT)
- AMBER: How does amber calculate HB? Li Su (Mon May 01 2006 - 20:01:05 CDT)
- Re: AMBER: How does amber calculate HB? David A. Case (Tue May 02 2006 - 01:20:31 CDT)
- Re: AMBER: sequential execution of number of parallel jobs Petr Kulhanek (Tue May 02 2006 - 03:20:51 CDT)
- AMBER: AMBER Workshops, London UK 26th - 30th June 2006 Ross Walker (Tue May 02 2006 - 10:45:33 CDT)
- AMBER: Simulation of crystal - problem with excluded atom list Jennie Thomas (Tue May 02 2006 - 12:07:20 CDT)
- Re: AMBER: internal coordinates Ioana Cozmuta (Tue May 02 2006 - 13:01:45 CDT)
- AMBER: MPI parallel problem in AMBER 8.0 mkseo (Tue May 02 2006 - 16:21:50 CDT)
- RE: AMBER: MPI parallel problem in AMBER 8.0 Ross Walker (Tue May 02 2006 - 16:42:33 CDT)
- Re: AMBER: MPI parallel problem in AMBER 8.0 mkseo (Tue May 02 2006 - 17:14:16 CDT)
- RE: AMBER: MPI parallel problem in AMBER 8.0 Ross Walker (Tue May 02 2006 - 17:40:37 CDT)
- AMBER: Shared libraries error Andrew Box (Tue May 02 2006 - 22:14:38 CDT)
- AMBER: proper restart procedure? John J. Love (Tue May 02 2006 - 22:33:57 CDT)
- AMBER: Question bonds and angles in frcmod and lib files Jennie Thomas (Wed May 03 2006 - 03:02:55 CDT)
- AMBER: Error while running test.serial in Amber9 Priti Hansia (Wed May 03 2006 - 06:03:27 CDT)
- Re: AMBER: proper restart procedure? Carlos Simmerling (Wed May 03 2006 - 06:48:25 CDT)
- Re: AMBER: Error while running test.serial in Amber9 Carlos Simmerling (Wed May 03 2006 - 06:50:37 CDT)
- Re: AMBER: Error while running test.serial in Amber9 Priti Hansia (Wed May 03 2006 - 07:02:04 CDT)
- AMBER: cluster architecture for the best amber performance Kateryna Miroshnychenko (Wed May 03 2006 - 07:54:58 CDT)
- RE: AMBER: Shared libraries error Ross Walker (Wed May 03 2006 - 10:13:32 CDT)
- Re: AMBER: proper restart procedure? David A. Case (Wed May 03 2006 - 10:18:43 CDT)
- RE: AMBER: Error while running test.serial in Amber9 Ross Walker (Wed May 03 2006 - 10:21:42 CDT)
- Re: AMBER: Question bonds and angles in frcmod and lib files David A. Case (Wed May 03 2006 - 10:23:12 CDT)
- RE: AMBER: cluster architecture for the best amber performance Ross Walker (Wed May 03 2006 - 10:42:19 CDT)
- Re: AMBER: Question bonds and angles in frcmod and lib files Jennie Thomas (Wed May 03 2006 - 10:54:43 CDT)
- Re: AMBER: Question bonds and angles in frcmod and lib files Bill Ross (Wed May 03 2006 - 11:28:08 CDT)
- AMBER: concatenating .mdcrd files Kenley Barrett (Wed May 03 2006 - 11:31:59 CDT)
- RE: AMBER: concatenating .mdcrd files Ross Walker (Wed May 03 2006 - 11:39:11 CDT)
- Re: AMBER: cluster architecture for the best amber performance Robert Duke (Wed May 03 2006 - 12:05:57 CDT)
- Re: AMBER: Question bonds and angles in frcmod and lib files Jennie Thomas (Wed May 03 2006 - 12:26:55 CDT)
- AMBER: question about group format Holly Freedman (Wed May 03 2006 - 14:18:36 CDT)
- [Fwd: Re: AMBER: Question bonds and angles in frcmod and lib files] Jennie Thomas (Wed May 03 2006 - 16:49:19 CDT)
- Re: [Fwd: Re: AMBER: Question bonds and angles in frcmod and lib files] Bill Ross (Wed May 03 2006 - 17:00:58 CDT)
- Re: AMBER: AMBER9: MacG5 parallel sander.MPI Mengjuei Hsieh (Wed May 03 2006 - 19:32:14 CDT)
- AMBER: Amber install on RedHat Linux a a (Wed May 03 2006 - 21:17:14 CDT)
- RE: AMBER: Amber install on RedHat Linux Ross Walker (Wed May 03 2006 - 21:36:45 CDT)
- RE: AMBER: Error while running test.serial in Amber9 Priti Hansia (Thu May 04 2006 - 00:08:02 CDT)
- Re: AMBER: Error while running test.serial in Amber9 David A. Case (Thu May 04 2006 - 01:13:06 CDT)
- RE: AMBER: Amber install on RedHat Linux a a (Thu May 04 2006 - 02:37:34 CDT)
- AMBER: carnal prob bala (Thu May 04 2006 - 02:44:53 CDT)
- Re: AMBER: carnal prob Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Thu May 04 2006 - 02:58:18 CDT)
- Re: AMBER: Amber install on RedHat Linux David A. Case (Thu May 04 2006 - 10:17:08 CDT)
- RE: AMBER: Amber install on RedHat Linux Ross Walker (Thu May 04 2006 - 10:31:56 CDT)
- AMBER: conflicting types for XawScrolledTableSetLocation K. Yarem (Thu May 04 2006 - 10:43:57 CDT)
- Re: AMBER: Error while running test.serial in Amber9 Priti Hansia (Thu May 04 2006 - 10:48:36 CDT)
- AMBER: molsurf.c error Miguel Ferreira (Thu May 04 2006 - 11:00:31 CDT)
- RE: AMBER: molsurf.c error Ross Walker (Thu May 04 2006 - 11:28:49 CDT)
- AMBER: amber9 serial compilation error Arvind Marathe (Thu May 04 2006 - 11:55:39 CDT)
- Re: AMBER: conflicting types for XawScrolledTableSetLocation Wei Zhang (Thu May 04 2006 - 12:17:40 CDT)
- AMBER: Trouble with ptraj closestwater in Amber8 Kerry P Donny-Clark (Thu May 04 2006 - 12:29:23 CDT)
- Re: AMBER: carnal prob Bill Ross (Thu May 04 2006 - 12:31:22 CDT)
- Re: AMBER: amber9 serial compilation error David A. Case (Thu May 04 2006 - 12:36:53 CDT)
- AMBER: lipid bi-layer system Lwin, ThuZar (Thu May 04 2006 - 12:41:11 CDT)
- AMBER: restraintmask Joseph Fernandez (Thu May 04 2006 - 13:22:21 CDT)
- Re: AMBER: restraintmask Viktor Hornak (Thu May 04 2006 - 13:41:37 CDT)
- Re: AMBER: question about group format Viktor Hornak (Thu May 04 2006 - 13:49:20 CDT)
- Re: AMBER: Shared libraries error Viktor Hornak (Thu May 04 2006 - 13:54:26 CDT)
- RE: AMBER: molsurf.c error Miguel Ferreira (Thu May 04 2006 - 14:43:41 CDT)
- Re: AMBER: molsurf.c error David A. Case (Thu May 04 2006 - 15:21:28 CDT)
- Re: [Fwd: Re: AMBER: Question bonds and angles in frcmod and lib files] Jennie Thomas (Thu May 04 2006 - 17:45:21 CDT)
- Re: AMBER: question about group format Holly Freedman (Thu May 04 2006 - 18:16:22 CDT)
- Re: AMBER: molsurf.c error Miguel Ferreira (Fri May 05 2006 - 06:46:24 CDT)
- Re: AMBER: molsurf.c error David A. Case (Fri May 05 2006 - 12:34:32 CDT)
- AMBER: Problem with shared libraries: libimf.so Priti Hansia (Fri May 05 2006 - 12:55:39 CDT)
- RE: AMBER: Problem with shared libraries: libimf.so Ross Walker (Fri May 05 2006 - 13:04:10 CDT)
- AMBER: experiences with compiling amber9 for FreeBSD M. L. Dodson (Fri May 05 2006 - 13:37:19 CDT)
- RE: AMBER: Problem with shared libraries: libimf.so Priti Hansia (Fri May 05 2006 - 13:39:50 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD David A. Case (Fri May 05 2006 - 13:46:29 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD M. L. Dodson (Fri May 05 2006 - 13:59:48 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD David A. Case (Fri May 05 2006 - 14:19:31 CDT)
- RE: AMBER: Problem with shared libraries: libimf.so Ross Walker (Fri May 05 2006 - 16:08:31 CDT)
- RE: AMBER: experiences with compiling amber9 for FreeBSD Ross Walker (Fri May 05 2006 - 16:10:51 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD M. L. Dodson (Fri May 05 2006 - 17:00:10 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD Mengjuei Hsieh (Fri May 05 2006 - 19:24:30 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD Mengjuei Hsieh (Fri May 05 2006 - 19:30:16 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD David A. Case (Fri May 05 2006 - 20:31:13 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD Mengjuei Hsieh (Fri May 05 2006 - 21:05:41 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD M. L. Dodson (Fri May 05 2006 - 21:34:07 CDT)
- AMBER: xleap on iMac G5 Evan Kelly (Fri May 05 2006 - 23:01:53 CDT)
- Re: AMBER: xleap on iMac G5 Mengjuei Hsieh (Sat May 06 2006 - 00:44:00 CDT)
- Re: AMBER: experiences with compiling amber9 for FreeBSD Xuebin Qiao (Sat May 06 2006 - 01:31:06 CDT)
- RE: AMBER: Problem with shared libraries: libimf.so Priti Hansia (Sat May 06 2006 - 02:01:51 CDT)
- Re: AMBER: Problem with shared libraries: libimf.so David A. Case (Sat May 06 2006 - 16:17:51 CDT)
- Re: AMBER: Problem with shared libraries: libimf.so Priti Hansia (Sun May 07 2006 - 00:40:49 CDT)
- AMBER: AMBER9 INSTALLATION problem on O2 sgi system S.Sundar Raman (Sun May 07 2006 - 02:10:15 CDT)
- Re: AMBER: AMBER9 INSTALLATION problem on O2 sgi system David A. Case (Sun May 07 2006 - 09:27:56 CDT)
- Re: AMBER: AMBER9: MacG5 parallel sander.MPI Mengjuei Hsieh (Sun May 07 2006 - 09:33:01 CDT)
- RE: AMBER: Problem with shared libraries: libimf.so Ross Walker (Sun May 07 2006 - 11:10:54 CDT)
- AMBER: xleap not recognizing residue Kenley Barrett (Sun May 07 2006 - 19:13:13 CDT)
- Re: AMBER: xleap not recognizing residue David A. Case (Sun May 07 2006 - 20:50:06 CDT)
- AMBER: question on distance calculation bala (Mon May 08 2006 - 05:09:23 CDT)
- Re: AMBER: AMBER9 INSTALLATION problem on O2 sgi system S.Sundar Raman (Mon May 08 2006 - 06:33:58 CDT)
- Re: AMBER: AMBER9 INSTALLATION problem on O2 sgi system Atro Tossavainen (Mon May 08 2006 - 06:48:29 CDT)
- RE: AMBER: AMBER9 INSTALLATION problem on O2 sgi system Ross Walker (Mon May 08 2006 - 10:17:55 CDT)
- Re: AMBER: xleap not recognizing residue Kenley Barrett (Mon May 08 2006 - 12:04:37 CDT)
- AMBER: Amber9 test error on SGI Altix amit_at_mbu.iisc.ernet.in (Mon May 08 2006 - 12:14:19 CDT)
- AMBER: Problem with impose in lep Osmar Norberto de Souza (Mon May 08 2006 - 12:31:16 CDT)
- Re: AMBER: Amber9 test error on SGI Altix David A. Case (Mon May 08 2006 - 13:07:17 CDT)
- AMBER: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 Ross Walker (Mon May 08 2006 - 13:13:11 CDT)
- Re: AMBER: Amber9 test error on SGI Altix David A. Case (Mon May 08 2006 - 13:45:30 CDT)
- Re: AMBER: Amber9 test error on SGI Altix Ray Luo (Tue May 09 2006 - 07:57:57 CDT)
- AMBER: Intel compiler version 9.0.033 Ross Walker (Mon May 08 2006 - 14:40:23 CDT)
- AMBER: PMEMD compilation error Joseph Fernandez (Mon May 08 2006 - 14:37:03 CDT)
- Re: AMBER: Intel compiler version 9.0.033 Priti Hansia (Mon May 08 2006 - 14:55:37 CDT)
- Re: AMBER: PMEMD compilation error Robert Duke (Mon May 08 2006 - 15:18:05 CDT)
- AMBER: About the Amber trajectories converted to XPLOR ( = DCD) format wang (Tue May 09 2006 - 01:25:47 CDT)
- AMBER: San Fransisco Amber users homeira amirkhani (Tue May 09 2006 - 06:38:06 CDT)
- AMBER: Amber9 test error on SGI Altix Priti Hansia (Tue May 09 2006 - 10:18:02 CDT)
- AMBER: RE: Intel Compiler. Ross Walker (Tue May 09 2006 - 11:05:28 CDT)
- Re: AMBER: Amber9 test error on SGI Altix Robert Duke (Tue May 09 2006 - 11:06:19 CDT)
- AMBER: Compiler with AMD 64 bit support alfredoq_at_fcq.unc.edu.ar (Tue May 09 2006 - 12:10:30 CDT)
- AMBER: RE: Intel Compiler. Priti Hansia (Tue May 09 2006 - 12:12:18 CDT)
- RE: AMBER: Compiler with AMD 64 bit support Ross Walker (Tue May 09 2006 - 12:19:18 CDT)
- RE: AMBER: RE: Intel Compiler. Ross Walker (Tue May 09 2006 - 12:21:43 CDT)
- AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 amit_at_mbu.iisc.ernet.in (Tue May 09 2006 - 13:32:52 CDT)
- RE: AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 Ross Walker (Tue May 09 2006 - 14:12:09 CDT)
- Re: AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 David A. Case (Tue May 09 2006 - 15:16:30 CDT)
- Re: AMBER: xleap not recognizing residue David A. Case (Tue May 09 2006 - 17:42:14 CDT)
- RE: AMBER: Re: IA64 / Altix Amber 9 Intel Compiler Problems. l_fc_c_9.0.031 amit_at_mbu.iisc.ernet.in (Wed May 10 2006 - 02:06:46 CDT)
- AMBER: bug in ambpdb (AMBER8) Petr Kulhanek (Wed May 10 2006 - 05:54:55 CDT)
- AMBER: problem with prep file Simon Whitehead (Wed May 10 2006 - 05:52:32 CDT)
- AMBER: Hexahydrated Counterions Mahalakshmi Sahasranaman (Wed May 10 2006 - 08:22:02 CDT)
- Re: AMBER: bug in ambpdb (AMBER8) David A. Case (Wed May 10 2006 - 10:10:08 CDT)
- Re: AMBER: Hexahydrated Counterions David A. Case (Wed May 10 2006 - 10:32:31 CDT)
- RE: AMBER: RE: Intel Compiler. Priti Hansia (Wed May 10 2006 - 10:39:04 CDT)
- Re: AMBER: problem with prep file David A. Case (Wed May 10 2006 - 11:12:59 CDT)
- [Fwd: AMBER: Problem with impose in lep] Osmar Norberto de Souza (Wed May 10 2006 - 12:09:48 CDT)
- Re: AMBER: xleap not recognizing residue--I fixed it, but I'm not sure why Kenley Barrett (Wed May 10 2006 - 14:54:46 CDT)
- AMBER: I'm very sorry, please disregard previous e-mail--problem seems to be fixed Kenley Barrett (Wed May 10 2006 - 15:04:16 CDT)
- Re: AMBER: xleap not recognizing residue--I fixed it, but I'm not sure why David A. Case (Wed May 10 2006 - 15:12:52 CDT)
- AMBER: which patch for ioutfm = 1 in Amber8? Hannes Loeffler (Thu May 11 2006 - 00:21:25 CDT)
- AMBER: why the drms from sander minimization is not consistent with that from nmode ntrun=1? Pan, Yongmei (Thu May 11 2006 - 09:13:02 CDT)
- Re: AMBER: why the drms from sander minimization is not consistent with that from nmode ntrun=1? David A. Case (Thu May 11 2006 - 09:43:28 CDT)
- AMBER: bond information in amber snoze pa (Thu May 11 2006 - 11:48:58 CDT)
- Re: AMBER: bond information in amber Navnit Kumar Mishra (Thu May 11 2006 - 12:25:10 CDT)
- Re: AMBER: bond information in amber snoze pa (Thu May 11 2006 - 13:36:18 CDT)
- Re: AMBER: bond information in amber snoze pa (Thu May 11 2006 - 13:41:00 CDT)
- AMBER: Opteron vs. Xeon performance Jim Paugh (Thu May 11 2006 - 13:47:42 CDT)
- AMBER: why the perturbation from PHE to ALA is not stable with gibbs, amber 7 Pan, Yongmei (Thu May 11 2006 - 13:50:36 CDT)
- Re: AMBER: bond information in amber snoze pa (Thu May 11 2006 - 14:16:56 CDT)
- AMBER: Amber9/mpich2 performance Joseph Fernandez (Thu May 11 2006 - 17:30:03 CDT)
- RE: AMBER: Amber9/mpich2 performance Ross Walker (Thu May 11 2006 - 18:07:21 CDT)
- RE: AMBER: Opteron vs. Xeon performance Ross Walker (Thu May 11 2006 - 18:17:12 CDT)
- Re: AMBER: Opteron vs. Xeon performance Robert Duke (Thu May 11 2006 - 21:02:10 CDT)
- AMBER: question about REDII Raffaella D'Auria (Thu May 11 2006 - 21:04:51 CDT)
- AMBER: About mm_pbsa calculation setting up alfredoq_at_fcq.unc.edu.ar (Thu May 11 2006 - 21:19:03 CDT)
- AMBER: AMBER 8 - dihedral angles when clambda=1 Ilyas Yildirim (Thu May 11 2006 - 23:57:37 CDT)
- Re: AMBER: bond information in amber Navnit Kumar Mishra (Fri May 12 2006 - 01:28:00 CDT)
- Re: AMBER: question about REDII FyD (Fri May 12 2006 - 01:34:48 CDT)
- Re: AMBER: Opteron vs. Xeon performance ian gould (Fri May 12 2006 - 02:35:12 CDT)
- Re: AMBER: Opteron vs. Xeon performance Ye Mei (Fri May 12 2006 - 03:04:45 CDT)
- AMBER: Xleap compilation problem Sergio Dall'Angelo (Fri May 12 2006 - 05:19:48 CDT)
- AMBER: RMSD calculation between ligands Stefan Henrich (Fri May 12 2006 - 07:09:15 CDT)
- Re: AMBER: Opteron vs. Xeon performance Robert Duke (Fri May 12 2006 - 07:29:14 CDT)
- Re: AMBER: Opteron vs. Xeon performance Robert Duke (Fri May 12 2006 - 07:46:08 CDT)
- Re: Re: AMBER: Opteron vs. Xeon performance Ye Mei (Fri May 12 2006 - 08:23:00 CDT)
- RE: AMBER: Opteron vs. Xeon performance Ross Walker (Fri May 12 2006 - 10:13:48 CDT)
- Re: AMBER: Xleap compilation problem Sergio Dall'Angelo (Fri May 12 2006 - 10:21:02 CDT)
- AMBER: another question: is rms 2E-2 good for nmode ntrun=1? Pan, Yongmei (Fri May 12 2006 - 10:22:00 CDT)
- Re: AMBER: Opteron vs. Xeon performance Robert Duke (Fri May 12 2006 - 10:24:43 CDT)
- Re: AMBER: another question: is rms 2E-2 good for nmode ntrun=1? David A. Case (Fri May 12 2006 - 10:39:37 CDT)
- Re: AMBER: another question: is rms 2E-2 good for nmode ntrun=1? nadiav_at_soton.ac.uk (Fri May 12 2006 - 11:00:21 CDT)
- Re: AMBER: another question: is rms 2E-2 good for nmode ntrun=1? David A. Case (Fri May 12 2006 - 12:01:05 CDT)
- Re: AMBER: why the perturbation from PHE to ALA is not stable with gibbs, amber 7 David Mobley (Fri May 12 2006 - 12:22:41 CDT)
- Re: AMBER: question about REDII Raffaella D'Auria (Fri May 12 2006 - 14:12:41 CDT)
- AMBER: binpos file Varsha Goyal (Fri May 12 2006 - 15:46:24 CDT)
- RE: AMBER: Amber9/mpich2 performance Joseph Fernandez (Fri May 12 2006 - 20:09:20 CDT)
- AMBER: strange mm_pbsa output alfredoq_at_fcq.unc.edu.ar (Sat May 13 2006 - 10:44:58 CDT)
- Re: AMBER: strange mm_pbsa output Ray Luo (Fri May 12 2006 - 19:22:57 CDT)
- Re: AMBER: strange mm_pbsa output alfredoq_at_fcq.unc.edu.ar (Sat May 13 2006 - 15:43:53 CDT)
- Re: AMBER: strange mm_pbsa output David A. Case (Sat May 13 2006 - 17:44:14 CDT)
- AMBER: Compilers and libraries for AMBER in HPC! Pradipta Bandyopadhyay (Sun May 14 2006 - 08:25:07 CDT)
- Re: AMBER: strange mm_pbsa output alfredoq_at_fcq.unc.edu.ar (Sun May 14 2006 - 09:22:14 CDT)
- AMBER: PBS script for lemieux Stern, Julie (Sun May 14 2006 - 18:09:30 CDT)
- RE: AMBER: Opteron vs. Xeon performance Yong Duan (Sun May 14 2006 - 19:53:55 CDT)
- AMBER: the parallel efficiency of my sander and pmemd descended rapidly with increasing CPUs Zhihong Yu (Sun May 14 2006 - 22:55:51 CDT)
- RE: AMBER: the parallel efficiency of my sander and pmemd descended rapidly with increasing CPUs Ross Walker (Mon May 15 2006 - 00:13:01 CDT)
- RE: AMBER: the parallel efficiency of my sander and pmemd descended rapidly with increasing CPUs Zhihong Yu (Mon May 15 2006 - 04:00:03 CDT)
- AMBER: AMBER9 compilation error on IBM Cluster amit_at_mbu.iisc.ernet.in (Mon May 15 2006 - 06:11:50 CDT)
- AMBER: Problem with "impose" in leap Osmar Norberto de Souza (Mon May 15 2006 - 06:27:13 CDT)
- AMBER: fail to execute addles pang zhao (Mon May 15 2006 - 06:59:10 CDT)
- Re: AMBER: fail to execute addles Carlos Simmerling (Mon May 15 2006 - 07:43:31 CDT)
- AMBER: ff02 + POL3 problem ! Pradipta Bandyopadhyay (Mon May 15 2006 - 08:53:20 CDT)
- Re: AMBER: fail to execute addles pang zhao (Mon May 15 2006 - 09:31:19 CDT)
- RE: AMBER: ff02 + POL3 problem ! Yong Duan (Mon May 15 2006 - 11:15:02 CDT)
- Re: AMBER: fail to execute addles David A. Case (Mon May 15 2006 - 11:46:28 CDT)
- Re: AMBER: fail to execute addles Carlos Simmerling (Mon May 15 2006 - 11:59:29 CDT)
- AMBER: installation problem Mahalakshmi Sahasranaman (Mon May 15 2006 - 13:12:51 CDT)
- Re: AMBER: installation problem Robert Duke (Mon May 15 2006 - 13:25:53 CDT)
- RE: AMBER: problem with prep file Junmei Wang (Mon May 15 2006 - 16:10:53 CDT)
- RE: AMBER: AMBER9 compilation error on IBM Cluster Ross Walker (Mon May 15 2006 - 22:28:12 CDT)
- AMBER: density mathew k varghese (Mon May 15 2006 - 23:02:51 CDT)
- RE: AMBER: density Yong Duan (Tue May 16 2006 - 00:37:28 CDT)
- Re: AMBER: fail to execute addles pang zhao (Tue May 16 2006 - 01:13:21 CDT)
- Re: AMBER: fail to execute addles pang zhao (Tue May 16 2006 - 01:17:05 CDT)
- Re: AMBER: fail to execute addles pang zhao (Tue May 16 2006 - 01:39:28 CDT)
- AMBER: amber8 compiled erro on opteron with 64 bit renyanliang (Tue May 16 2006 - 04:15:24 CDT)
- Re: AMBER: amber8 compiled erro on opteron with 64 bit Andreas Svrcek-Seiler (Tue May 16 2006 - 05:53:14 CDT)
- Re: AMBER: fail to execute addles Carlos Simmerling (Tue May 16 2006 - 08:47:37 CDT)
- RE: AMBER: ff02 + POL3 problem ! Pradipta Bandyopadhyay (Tue May 16 2006 - 09:08:03 CDT)
- Re: AMBER: fail to execute addles pang zhao (Tue May 16 2006 - 09:42:36 CDT)
- AMBER: trouble stripping waters with ptraj Adam Pelzer (Tue May 16 2006 - 15:09:30 CDT)
- RE: AMBER: ff02 + POL3 problem ! Yong Duan (Tue May 16 2006 - 15:06:54 CDT)
- Re: AMBER: trouble stripping waters with ptraj Asim Okur (Tue May 16 2006 - 15:17:32 CDT)
- RE: AMBER: density mathew k varghese (Tue May 16 2006 - 23:09:17 CDT)
- AMBER: amber compilation on Red Hat 8 with MPICH kawamura_hiro_at_riken.jp (Wed May 17 2006 - 00:38:35 CDT)
- AMBER: "atom number exceeds the MAXATOM" BAUVAIS_at_itodys.jussieu.fr (Wed May 17 2006 - 00:54:24 CDT)
- AMBER: Tutorial one : libsvml.so error a a (Wed May 17 2006 - 01:01:26 CDT)
- Re: AMBER: Tutorial one : libsvml.so error Mark Williamson (Wed May 17 2006 - 02:27:05 CDT)
- AMBER: Tutorial one : xaLeap command not found. a a (Wed May 17 2006 - 05:12:53 CDT)
- AMBER: distance dependent dielectric constant Mahalakshmi Sahasranaman (Wed May 17 2006 - 05:36:55 CDT)
- Re: AMBER: amber compilation on Red Hat 8 with MPICH David A. Case (Wed May 17 2006 - 06:52:55 CDT)
- Re: AMBER: "atom number exceeds the MAXATOM" David A. Case (Wed May 17 2006 - 06:53:58 CDT)
- Re: AMBER: distance dependent dielectric constant David A. Case (Wed May 17 2006 - 06:59:41 CDT)
- RE: AMBER: amber compilation on Red Hat 8 with MPICH Ross Walker (Wed May 17 2006 - 10:35:00 CDT)
- RE: AMBER: density Ross Walker (Wed May 17 2006 - 10:31:20 CDT)
- RE: AMBER: Tutorial one : xaLeap command not found. Ross Walker (Wed May 17 2006 - 10:40:12 CDT)
- RE: AMBER: density mathew k varghese (Wed May 17 2006 - 22:24:07 CDT)
- RE: AMBER: density Ross Walker (Wed May 17 2006 - 23:11:11 CDT)
- AMBER: "The system has extended beyond" error message Atsutoshi Okabe (Thu May 18 2006 - 00:04:31 CDT)
- AMBER: Correlation matrix used in quasih (Amber 7) Craig Gough (Thu May 18 2006 - 02:06:03 CDT)
- AMBER: AMBER9 installation error on Compaq machine. Soonmin Jang (Thu May 18 2006 - 02:11:46 CDT)
- AMBER: vlimit exceeded aixiaoli (Thu May 18 2006 - 03:14:29 CDT)
- AMBER: problem with installation, or bug? Kenley Barrett (Thu May 18 2006 - 05:09:10 CDT)
- Re: AMBER: vlimit exceeded David A. Case (Thu May 18 2006 - 07:24:49 CDT)
- Re: AMBER: "The system has extended beyond" error message german (Thu May 18 2006 - 07:27:42 CDT)
- Re: AMBER: Correlation matrix used in quasih (Amber 7) David A. Case (Thu May 18 2006 - 07:31:00 CDT)
- Re: AMBER: "The system has extended beyond" error message David A. Case (Thu May 18 2006 - 07:38:58 CDT)
- AMBER: force field parameters Douali, Latifa (Thu May 18 2006 - 12:33:35 CDT)
- Re: AMBER: force field parameters Navnit Kumar Mishra (Thu May 18 2006 - 13:21:59 CDT)
- RE: AMBER: force field parameters Douali, Latifa (Thu May 18 2006 - 13:40:53 CDT)
- AMBER: RMSd calculations Claire Zerafa (Thu May 18 2006 - 14:25:57 CDT)
- AMBER: OT: software to support AMBER? Steve Gwaltney (Thu May 18 2006 - 13:37:06 CDT)
- RE: AMBER: AMBER9 installation error on Compaq machine. Ross Walker (Thu May 18 2006 - 17:32:57 CDT)
- AMBER: Compiling parallel Amber 9 on Red-Hat Enterprise 64 problem Hall, Spencer (Thu May 18 2006 - 17:44:14 CDT)
- RE: AMBER: Compiling parallel Amber 9 on Red-Hat Enterprise 64 problem Ross Walker (Thu May 18 2006 - 18:37:30 CDT)
- AMBER: process_mdout.perl error a a (Fri May 19 2006 - 04:35:20 CDT)
- AMBER: Intel fortran compiler 7? Simon Whitehead (Fri May 19 2006 - 04:47:55 CDT)
- AMBER: xmgr error a a (Fri May 19 2006 - 04:50:25 CDT)
- Re: AMBER: xmgr error mathew k varghese (Fri May 19 2006 - 05:54:00 CDT)
- Re: AMBER: force field parameters Navnit Kumar Mishra (Fri May 19 2006 - 06:01:59 CDT)
- Re: AMBER: Intel fortran compiler 7? Robert Duke (Fri May 19 2006 - 06:59:43 CDT)
- AMBER: Fw: RMSd calculations Claire Zerafa (Fri May 19 2006 - 07:07:30 CDT)
- Re: AMBER: Fw: RMSd calculations Carlos Simmerling (Fri May 19 2006 - 08:00:50 CDT)
- AMBER: problem loading forcefield leaprc.ff86 Mahalakshmi Sahasranaman (Fri May 19 2006 - 09:27:38 CDT)
- RE: AMBER: process_mdout.perl error Ross Walker (Fri May 19 2006 - 09:43:25 CDT)
- Re: AMBER: problem loading forcefield leaprc.ff86 David A. Case (Fri May 19 2006 - 10:45:33 CDT)
- AMBER: RE: PMEMD compilation problems Simon Whitehead (Fri May 19 2006 - 10:37:46 CDT)
- Re: AMBER: RE: PMEMD compilation problems Robert Duke (Fri May 19 2006 - 11:20:52 CDT)
- RE: AMBER: xmgr error Douali, Latifa (Fri May 19 2006 - 12:07:01 CDT)
- AMBER: amber .off file format question Ilyas Yildirim (Fri May 19 2006 - 21:30:55 CDT)
- AMBER: RE: trouble stripping waters with ptraj Adam Pelzer (Sat May 20 2006 - 11:00:12 CDT)
- Re: AMBER: RE: trouble stripping waters with ptraj Carlos Simmerling (Sat May 20 2006 - 12:10:24 CDT)
- AMBER: Problem with running xleap remotely heaton_at_chem.utah.edu (Sat May 20 2006 - 14:20:27 CDT)
- RE: AMBER: Problem with running xleap remotely Ross Walker (Sat May 20 2006 - 14:37:35 CDT)
- RE: AMBER: Problem with running xleap remotely heaton_at_chem.utah.edu (Sat May 20 2006 - 15:43:53 CDT)
- AMBER: trajin and rms a a (Sun May 21 2006 - 23:18:37 CDT)
- RE: AMBER: trajin and rms Ross Walker (Sun May 21 2006 - 23:43:09 CDT)
- AMBER: RMSd error Claire Zerafa (Mon May 22 2006 - 03:52:34 CDT)
- RE: AMBER: trajin and rms a a (Mon May 22 2006 - 03:55:03 CDT)
- Re: AMBER: amber .off file format question Ilyas Yildirim (Mon May 22 2006 - 04:16:39 CDT)
- AMBER: Water density output Navnit Kumar Mishra (Mon May 22 2006 - 06:02:48 CDT)
- AMBER: A dummy atom on the center of solute molecule Atsutoshi Okabe (Mon May 22 2006 - 06:49:23 CDT)
- Re: AMBER: trajin and rms Carlos Simmerling (Mon May 22 2006 - 06:58:04 CDT)
- Re: AMBER: A dummy atom on the center of solute molecule Ilyas Yildirim (Mon May 22 2006 - 06:58:24 CDT)
- Re: AMBER: RMSd error Carlos Simmerling (Mon May 22 2006 - 07:02:02 CDT)
- AMBER: Macromodel Amber* vs. Amber7 opitz_at_che.udel.edu (Mon May 22 2006 - 07:56:54 CDT)
- AMBER: More Amber 9 Benchmarks available Robert Duke (Mon May 22 2006 - 09:23:15 CDT)
- Re: AMBER: RE: trouble stripping waters with ptraj Asim Okur (Mon May 22 2006 - 11:49:46 CDT)
- Re: AMBER: Problems compiling amber9 Don Harden (Mon May 22 2006 - 12:10:15 CDT)
- Re: AMBER: amber .off file format question Wei Zhang (Mon May 22 2006 - 13:13:12 CDT)
- Re: AMBER: amber .off file format question Bill Ross (Mon May 22 2006 - 13:17:26 CDT)
- Re: AMBER: Compiling parallel Amber 9 on Red-Hat Enterprise 64 problem Michael Crowley (Mon May 22 2006 - 13:28:58 CDT)
- Re: AMBER: Problems compiling amber9 David A. Case (Mon May 22 2006 - 13:46:09 CDT)
- Re: AMBER: Problems compiling amber9 Andreas Svrcek-Seiler (Mon May 22 2006 - 14:01:09 CDT)
- AMBER: Again SASA lucas luquitas (Mon May 22 2006 - 14:51:22 CDT)
- AMBER: 3Dsig: Struct Bioinfo & Comp Biophysics Meeting, 4-5 Aug. Brazil 3Dsig06 (Mon May 22 2006 - 17:03:45 CDT)
- Re: AMBER: amber .off file format question Ilyas Yildirim (Tue May 23 2006 - 00:53:19 CDT)
- Re: AMBER: amber .off file format question David A. Case (Tue May 23 2006 - 01:21:33 CDT)
- Re: AMBER: Problems compiling amber9 Don Harden (Tue May 23 2006 - 14:45:02 CDT)
- RE: AMBER: Compiling parallel Amber 9 on Red-Hat Enterprise 64 problem Hall, Spencer (Tue May 23 2006 - 16:15:12 CDT)
- RE: AMBER: Compiling parallel Amber 9 on Red-Hat Enterprise 64 problem Hall, Spencer (Tue May 23 2006 - 16:15:08 CDT)
- AMBER: error in AMBER 9.0 mkseo (Tue May 23 2006 - 16:43:28 CDT)
- RE: AMBER: A dummy atom on the center of solute molecule Atsutoshi Okabe (Tue May 23 2006 - 20:46:35 CDT)
- RE: AMBER: A dummy atom on the center of solute molecule Ilyas Yildirim (Tue May 23 2006 - 21:49:00 CDT)
- Re: AMBER: error in AMBER 9.0 David A. Case (Wed May 24 2006 - 00:19:47 CDT)
- AMBER: amber8 bugfix effects kawamura_hiro_at_riken.jp (Wed May 24 2006 - 03:17:32 CDT)
- RE: AMBER: trajin and rms a a (Wed May 24 2006 - 05:49:05 CDT)
- Re: AMBER: amber8 bugfix effects David A. Case (Wed May 24 2006 - 09:38:39 CDT)
- AMBER: simulate proteins with non-standard residues Hui Lei (Wed May 24 2006 - 12:10:08 CDT)
- AMBER: freeze interval vibrations Eric Hu (Wed May 24 2006 - 12:52:47 CDT)
- Re: AMBER: freeze interval vibrations David A. Case (Wed May 24 2006 - 14:00:35 CDT)
- AMBER: problem with prepfile Shafinaz (Wed May 24 2006 - 14:50:21 CDT)
- Re: AMBER: problem with prepfile David A. Case (Wed May 24 2006 - 15:56:08 CDT)
- AMBER: use_pme=0 problem luckyang_at_gmail.com (Wed May 24 2006 - 18:18:47 CDT)
- AMBER: output of first stage RESP calculation JunJun Liu (Wed May 24 2006 - 17:23:55 CDT)
- Re: AMBER: use_pme=0 problem David A. Case (Wed May 24 2006 - 18:50:56 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Wed May 24 2006 - 19:20:35 CDT)
- Re: AMBER: use_pme=0 problem David A. Case (Wed May 24 2006 - 19:33:53 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Wed May 24 2006 - 19:51:10 CDT)
- AMBER: How to built the deprotonated form of lysine and tyrosine jitrayut jitonnom (Wed May 24 2006 - 21:49:04 CDT)
- AMBER: Fwd: RESP for deprotonated tyrosine and lysine jitrayut jitonnom (Wed May 24 2006 - 21:57:45 CDT)
- AMBER: Qestion about input for RESP program JunJun Liu (Wed May 24 2006 - 21:44:41 CDT)
- AMBER: How to build NH2 of amino acid in amber jitrayut jitonnom (Wed May 24 2006 - 22:52:25 CDT)
- Re: AMBER: Qestion about input for RESP program Ilyas Yildirim (Wed May 24 2006 - 23:49:11 CDT)
- Re: AMBER: output of first stage RESP calculation FyD (Thu May 25 2006 - 03:12:12 CDT)
- Re: AMBER: Fwd: RESP for deprotonated tyrosine and lysine FyD (Thu May 25 2006 - 03:26:15 CDT)
- Re: AMBER: Qestion about input for RESP program FyD (Thu May 25 2006 - 03:22:13 CDT)
- AMBER: question about QM/MM in amber9 aixiaoli (Thu May 25 2006 - 03:37:10 CDT)
- AMBER: New united atom force field and GB solvation model in amber9 (leaprc.ff03ua) Soonmin Jang (Thu May 25 2006 - 05:51:02 CDT)
- Re: AMBER: question about QM/MM in amber9 Adrian Roitberg (Thu May 25 2006 - 05:57:25 CDT)
- AMBER: 1st 2 lines of restart files hayden (Thu May 25 2006 - 06:40:03 CDT)
- Re: AMBER: 1st 2 lines of restart files Steven Winfield (Thu May 25 2006 - 06:50:18 CDT)
- Re: AMBER: Qestion about input for RESP program JunJun Liu (Thu May 25 2006 - 09:01:41 CDT)
- RE: AMBER: question about QM/MM in amber9 Ross Walker (Thu May 25 2006 - 10:33:17 CDT)
- Re: AMBER: Qestion about input for RESP program FyD (Thu May 25 2006 - 10:53:28 CDT)
- RE: AMBER: problem with prepfile Junmei Wang (Thu May 25 2006 - 11:24:51 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Thu May 25 2006 - 12:09:59 CDT)
- Re: AMBER: New united atom force field and GB solvation model in amber9 (leaprc.ff03ua) Ray Luo (Wed May 24 2006 - 18:14:33 CDT)
- Re: AMBER: use_pme=0 problem David A. Case (Thu May 25 2006 - 12:56:56 CDT)
- Re: AMBER: New united atom force field and GB solvation model in amber9 (leaprc.ff03ua) David A. Case (Thu May 25 2006 - 15:33:33 CDT)
- AMBER: alpha helix preference problem harianto (Thu May 25 2006 - 16:16:23 CDT)
- Re: AMBER: alpha helix preference problem Carlos Simmerling (Thu May 25 2006 - 20:35:10 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Thu May 25 2006 - 20:56:30 CDT)
- AMBER: RMSd error Claire Zerafa (Thu May 25 2006 - 23:37:54 CDT)
- AMBER: RE: trouble stripping waters with ptraj Adam Pelzer (Thu May 25 2006 - 23:50:53 CDT)
- AMBER: ptraj: calculating distances between atoms in charges residues Magne Olufsen (Fri May 26 2006 - 02:13:48 CDT)
- AMBER: Question about .off file Sergey Krishtal (Fri May 26 2006 - 03:15:06 CDT)
- Re: AMBER: Question about .off file Ilyas Yildirim (Fri May 26 2006 - 03:58:19 CDT)
- Re: AMBER: RMSd error Carlos Simmerling (Fri May 26 2006 - 06:27:18 CDT)
- Re: AMBER: RE: trouble stripping waters with ptraj Carlos Simmerling (Fri May 26 2006 - 06:28:35 CDT)
- Re: AMBER: RMSd error Claire Zerafa (Fri May 26 2006 - 07:26:06 CDT)
- Re: AMBER: RMSd error Carlos Simmerling (Fri May 26 2006 - 07:58:42 CDT)
- Re: AMBER: RMSd error Claire Zerafa (Fri May 26 2006 - 08:30:57 CDT)
- AMBER: different TI calculations starting from the same state Andrea Bortolato (Fri May 26 2006 - 08:56:47 CDT)
- Re: AMBER: alpha helix preference problem harianto (Fri May 26 2006 - 09:04:30 CDT)
- AMBER: different TI calculations starting from the same state Andrea Bortolato (Fri May 26 2006 - 05:12:12 CDT)
- AMBER: Saving RMSD values in VMD nag raj (Fri May 26 2006 - 09:33:00 CDT)
- Re: AMBER: different TI calculations starting from the same state David A. Case (Fri May 26 2006 - 10:16:19 CDT)
- RE: AMBER: alpha helix preference problem Ross Walker (Fri May 26 2006 - 10:23:27 CDT)
- RE: AMBER: Saving RMSD values in VMD Ross Walker (Fri May 26 2006 - 10:27:08 CDT)
- Re: AMBER: Saving RMSD values in VMD Carlos Simmerling (Fri May 26 2006 - 10:45:17 CDT)
- Re: AMBER: RMSd error Thomas Cheatham (Fri May 26 2006 - 10:59:34 CDT)
- Re: [UCE]AMBER: RE: trouble stripping waters with ptraj Thomas Cheatham (Fri May 26 2006 - 11:04:22 CDT)
- Re: AMBER: ptraj: calculating distances between atoms in charges residues Thomas Cheatham (Fri May 26 2006 - 11:12:40 CDT)
- AMBER: check as error: load prepin in tleap jitrayut jitonnom (Fri May 26 2006 - 12:13:41 CDT)
- Re: AMBER: use_pme=0 problem David A. Case (Fri May 26 2006 - 12:34:39 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Fri May 26 2006 - 14:10:19 CDT)
- AMBER: Please reply Shafinaz (Fri May 26 2006 - 14:19:42 CDT)
- Re: AMBER: use_pme=0 problem David A. Case (Fri May 26 2006 - 14:30:01 CDT)
- Re: AMBER: Please reply Ananda Rama Krishnan Selvaraj (Fri May 26 2006 - 14:36:26 CDT)
- Re: AMBER: Please reply David A. Case (Fri May 26 2006 - 14:39:02 CDT)
- Re: AMBER: use_pme=0 problem luckyang_at_gmail.com (Fri May 26 2006 - 15:19:11 CDT)
- Re: AMBER: use_pme=0 problem Bill Ross (Fri May 26 2006 - 15:32:35 CDT)
- AMBER: Installing / Compiling Question Seth Lilavivat (Fri May 26 2006 - 22:29:06 CDT)
- Re: AMBER: Installing / Compiling Question David A. Case (Sat May 27 2006 - 23:50:54 CDT)
- RE: AMBER: Installing / Compiling Question Ross Walker (Sun May 28 2006 - 00:12:46 CDT)
- Re: AMBER: RMSd error Claire Zerafa (Sun May 28 2006 - 11:26:14 CDT)
- AMBER: md error : sander jitrayut jitonnom (Sun May 28 2006 - 13:11:45 CDT)
- Re: AMBER: md error : sander Carlos Simmerling (Sun May 28 2006 - 15:06:21 CDT)
- AMBER: Pt containing complex: xleap a a (Sun May 28 2006 - 22:30:48 CDT)
- AMBER: Pt containing complex: antechamber a a (Sun May 28 2006 - 22:42:31 CDT)
- Re: AMBER: Pt containing complex: xleap Ilyas Yildirim (Sun May 28 2006 - 23:00:08 CDT)
- RE: AMBER: A dummy atom on the center of solute molecule Ilyas Yildirim (Sun May 28 2006 - 23:26:33 CDT)
- RE: AMBER: A dummy atom on the center of solute molecule Atsutoshi Okabe (Mon May 29 2006 - 00:51:49 CDT)
- AMBER: which time should I use to calculate the number of "ps/Day" Zhihong Yu (Mon May 29 2006 - 04:32:26 CDT)
- AMBER: antechamber help needed for FAD pkb bioinfo (Mon May 29 2006 - 04:38:48 CDT)
- Re: AMBER: which time should I use to calculate the number of "ps/Day" Carlos Simmerling (Mon May 29 2006 - 04:50:31 CDT)
- Re: AMBER: which time should I use to calculate the number of "ps/Day" Robert Duke (Mon May 29 2006 - 08:10:04 CDT)
- AMBER: Thermodynamic integration using the amber 9 Vitor Manuel Sousa F?x (Mon May 29 2006 - 08:41:14 CDT)
- AMBER: Difference in results for TI calculation brmeher_at_iitg.ernet.in (Mon May 29 2006 - 08:53:41 CDT)
- AMBER: Difference in results for TI calculation brmeher_at_iitg.ernet.in (Mon May 29 2006 - 09:23:45 CDT)
- Re: AMBER: Thermodynamic integration using the amber 9 Ilyas Yildirim (Mon May 29 2006 - 09:25:21 CDT)
- AMBER: problems with antechamber JAVIER PEREZ (Mon May 29 2006 - 10:04:52 CDT)
- AMBER: energy terms JAVIER PEREZ (Mon May 29 2006 - 10:25:31 CDT)
- AMBER: SAVEPDB in Xleap could not save 4 character atom names Jiayun Pang (Mon May 29 2006 - 11:38:22 CDT)
- Re: AMBER: SAVEPDB in Xleap could not save 4 character atom names Bill Ross (Mon May 29 2006 - 15:26:56 CDT)
- AMBER: RE: trouble stripping waters with ptraj Adam Pelzer (Mon May 29 2006 - 17:20:23 CDT)
- Re: AMBER: which time should I use to calculate the number of "ps/Day" Zhihong Yu (Mon May 29 2006 - 19:42:01 CDT)
- AMBER: ESP calculations. a a (Tue May 30 2006 - 05:10:41 CDT)
- AMBER: Antechamber : +ve charge species a a (Tue May 30 2006 - 05:04:05 CDT)
- Re: AMBER: ESP calculations. FyD (Tue May 30 2006 - 06:15:31 CDT)
- Re: AMBER: ESP calculations. Ken Merz (Tue May 30 2006 - 06:55:24 CDT)
- Re: AMBER: ESP calculations. Ken Merz (Tue May 30 2006 - 06:59:38 CDT)
- Re: AMBER: problems with antechamber linfu (Tue May 30 2006 - 07:01:59 CDT)
- RE: AMBER: problems with antechamber Junmei Wang (Tue May 30 2006 - 10:20:33 CDT)
- RE: AMBER: Antechamber : +ve charge species Junmei Wang (Tue May 30 2006 - 10:31:07 CDT)
- Re: [UCE]AMBER: RE: trouble stripping waters with ptraj Thomas Cheatham (Tue May 30 2006 - 12:17:31 CDT)
- Re: AMBER: SAVEPDB in Xleap could not save 4 character atom names David A. Case (Tue May 30 2006 - 12:36:37 CDT)
- Re: AMBER: Pt containing complex: antechamber David A. Case (Tue May 30 2006 - 12:39:20 CDT)
- Re: AMBER: Difference in results for TI calculation David A. Case (Tue May 30 2006 - 13:01:49 CDT)
- Re: AMBER: SAVEPDB in Xleap could not save 4 character atom names Andy Purkiss (Tue May 30 2006 - 13:18:58 CDT)
- RE: AMBER: A dummy atom on the center of solute molecule Ilyas Yildirim (Tue May 30 2006 - 18:06:54 CDT)
- AMBER: Different results for TI calculation Biswa Ranjan Meher (Wed May 31 2006 - 02:25:13 CDT)
- AMBER: Replica exchage: about exchange interval Atsutoshi Okabe (Wed May 31 2006 - 07:36:27 CDT)
- Re: AMBER: Replica exchage: about exchange interval Carlos Simmerling (Wed May 31 2006 - 08:02:32 CDT)
- AMBER: Force units in forcedump.dat Steven Winfield (Wed May 31 2006 - 08:41:43 CDT)
- AMBER: Namelists in input files Steven Winfield (Wed May 31 2006 - 11:42:05 CDT)
- AMBER: SHAKE, TIP3P and 2fs Timesteps Mark Williamson (Wed May 31 2006 - 12:32:56 CDT)
- Re: AMBER: Force units in forcedump.dat darden (Wed May 31 2006 - 12:53:34 CDT)
- RE: AMBER: SHAKE, TIP3P and 2fs Timesteps Ross Walker (Wed May 31 2006 - 12:56:31 CDT)
- AMBER: xleap problem and answer Thomas Pochapsky (Wed May 31 2006 - 13:32:32 CDT)
- RE: AMBER: SHAKE, TIP3P and 2fs Timesteps Andreas Svrcek-Seiler (Wed May 31 2006 - 13:38:29 CDT)
- AMBER: AMBER mdcrd file bigger than 2GB snoze pa (Wed May 31 2006 - 16:57:22 CDT)
- AMBER: Installation of Amber8 on Fedora Core 5 DAVID P. RANGEL (Wed May 31 2006 - 17:48:11 CDT)
- Re: AMBER: AMBER mdcrd file bigger than 2GB snoze pa (Wed May 31 2006 - 18:04:53 CDT)
- Re: AMBER: AMBER mdcrd file bigger than 2GB Thomas Cheatham (Wed May 31 2006 - 18:27:16 CDT)
Last message date: Sat Dec 30 2006 - 07:20:23 CST
Archived on: Wed Feb 21 2007 - 22:44:15 CST
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