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AMBER Archive (2003) - Oct 2003 By Thread
Most recent messages274 messages sorted by: [ author ] [ date ] [ subject ]
About this archive
Starting: Wed Oct 01 2003 - 09:59:16 CDT
Ending: Fri Oct 31 2003 - 18:29:19 CST
- Re: AMBER: improper ya ya (Wed Oct 01 2003 - 09:59:16 CDT)
- Re: AMBER: improper Bill Ross (Wed Oct 01 2003 - 12:21:03 CDT)
- Re: AMBER: improper Bill Ross (Wed Oct 01 2003 - 12:38:08 CDT)
- AMBER: Added water and mm_pbsa Yong-Liang Zhu (Wed Oct 01 2003 - 12:29:37 CDT)
- AMBER: addions/xleap question FyD (Wed Oct 01 2003 - 15:39:47 CDT)
- Re: AMBER: addions/xleap question Rhonda Torres (Wed Oct 01 2003 - 16:10:00 CDT)
- AMBER: constant pressure in GB aini_at_UMDNJ.EDU (Wed Oct 01 2003 - 20:19:12 CDT)
- AMBER: regarding trajectory input and output with ptraj or Carnal Vlad Cojocaru (Thu Oct 02 2003 - 07:37:19 CDT)
- AMBER: calculation of LJ 12-6 from .dat file (fwd) Michal Otyepka (Thu Oct 02 2003 - 09:53:27 CDT)
- Re: AMBER: regarding trajectory input and output with ptraj or Carnal Bill Ross (Thu Oct 02 2003 - 11:28:41 CDT)
- AMBER: SHAKE for TIP4P! Pradipta Bandyopadhyay (Thu Oct 02 2003 - 18:25:49 CDT)
- AMBER: Compiling antechamber on amber 8 Mengjuei Hsieh (Fri Oct 03 2003 - 05:10:35 CDT)
- AMBER: H-bond analysis RAJA SWAMINATHAN (Fri Oct 03 2003 - 11:11:17 CDT)
- AMBER: ibelly Amber Administration (Fri Oct 03 2003 - 13:55:02 CDT)
- AMBER: surface code in Amber John Lee (Sun Oct 05 2003 - 16:13:43 CDT)
- Re: AMBER: surface code in Amber Alexey Onufriev (Fri Oct 10 2003 - 18:25:45 CDT)
- Re[2]: AMBER: surface code in Amber John Lee (Sun Oct 26 2003 - 20:06:56 CST)
- Re: AMBER: surface code in Amber David A. Case (Mon Oct 27 2003 - 00:45:18 CST)
- Re[2]: AMBER: surface code in Amber John Lee (Tue Oct 28 2003 - 00:53:49 CST)
- Re[2]: AMBER: surface code in Amber Dr. Yong Duan (Tue Oct 28 2003 - 08:46:32 CST)
- Re: AMBER: surface code in Amber David E. Konerding (Tue Oct 28 2003 - 10:38:56 CST)
- RE: AMBER: surface code in Amber Yong Duan (Tue Oct 28 2003 - 11:01:33 CST)
- Re: AMBER: surface code in Amber David A. Case (Tue Oct 28 2003 - 18:15:33 CST)
- Re: AMBER: surface code in Amber David E. Konerding (Mon Oct 27 2003 - 09:32:41 CST)
- Re[2]: AMBER: surface code in Amber John Lee (Sun Oct 26 2003 - 20:06:56 CST)
- Re: AMBER: surface code in Amber Alexey Onufriev (Fri Oct 10 2003 - 18:25:45 CDT)
- AMBER: output frequency GUILLERMINA L ESTIU (Mon Oct 06 2003 - 08:43:26 CDT)
- AMBER: mgbjsb Radii in GBSA Giulio Rastelli (Tue Oct 07 2003 - 09:42:34 CDT)
- AMBER: Atomic charges and internal H-bond Martin Lepsik (Tue Oct 07 2003 - 06:41:19 CDT)
- Re: AMBER: Atomic charges and internal H-bond Piotr Cieplak (Tue Oct 07 2003 - 12:41:49 CDT)
- AMBER: Re:atomic charges and internal H-bond Pradipta Bandyopadhyay (Tue Oct 07 2003 - 13:24:18 CDT)
- AMBER: Resp Problem Vikas Varshney (Tue Oct 07 2003 - 10:18:39 CDT)
- AMBER: Addles Mark K. Dean (Wed Oct 08 2003 - 09:46:41 CDT)
- AMBER: mopac lil_at_umbi.umd.edu (Wed Oct 08 2003 - 11:19:18 CDT)
- AMBER: Compiling AMBER franck (Thu Oct 09 2003 - 09:16:17 CDT)
- AMBER: question about ewald Lishan Yao (Thu Oct 09 2003 - 11:03:44 CDT)
- AMBER: mm_pbsa example Jory Zmuda (Thu Oct 09 2003 - 15:35:21 CDT)
- Re: AMBER: mm_pbsa example Rhonda Torres (Thu Oct 09 2003 - 16:09:33 CDT)
- AMBER: Not getting restrt file on running sanders Vikas Varshney (Thu Oct 09 2003 - 16:40:15 CDT)
- AMBER: Freezing the residues Vikas Varshney (Thu Oct 09 2003 - 22:37:11 CDT)
- Re: AMBER: Freezing the residues zhaoxc_at_puccini.che.pitt.edu (Fri Oct 10 2003 - 07:30:38 CDT)
- AMBER: is there a good program to quantitatively analyze hydration effect? zhaoxc_at_puccini.che.pitt.edu (Fri Oct 10 2003 - 07:36:08 CDT)
- Re: AMBER: Freezing the residues Bill Ross (Fri Oct 10 2003 - 14:43:38 CDT)
- AMBER: monte carlo Vlad Cojocaru (Fri Oct 10 2003 - 08:40:11 CDT)
- AMBER: input/output error Dalmaris, John (Fri Oct 10 2003 - 11:32:15 CDT)
- AMBER: nmanal projection Qiang Lu (Fri Oct 10 2003 - 17:22:48 CDT)
- AMBER: MeCNBOX & EWALD bomb northrop_at_chem.ucla.edu (Fri Oct 10 2003 - 19:31:46 CDT)
- AMBER: Water as part of protein in mm_pbsa calculation Yong-Liang Zhu (Sat Oct 11 2003 - 22:20:12 CDT)
- AMBER: problem with pdb files Mithun Mitra (Sun Oct 12 2003 - 15:12:45 CDT)
- AMBER: sander: vlimit problem Vikas Varshney (Sun Oct 12 2003 - 21:19:41 CDT)
- AMBER: Reverse TI run Martin Lepsik (Mon Oct 13 2003 - 11:55:03 CDT)
- AMBER: mm_pbsa crg file kbyun_at_wesleyan.edu (Mon Oct 13 2003 - 12:24:15 CDT)
- AMBER: mm_pbsa rna/dna charges kbyun_at_wesleyan.edu (Mon Oct 13 2003 - 15:45:37 CDT)
- AMBER: antechamber lil_at_umbi.umd.edu (Mon Oct 13 2003 - 18:30:25 CDT)
- Re: AMBER: antechamber Bill Ross (Mon Oct 13 2003 - 19:38:24 CDT)
- AMBER: Amber charge problem Yuhui Cheng (Mon Oct 13 2003 - 19:25:58 CDT)
- Re: AMBER: Amber charge problem Bill Ross (Mon Oct 13 2003 - 20:21:00 CDT)
- AMBER: running sander_classic on multiple processors Richard Smith (Tue Oct 14 2003 - 08:48:23 CDT)
- AMBER: mm_pbsa with amber7 Itziar Maestre Asenjo (Tue Oct 14 2003 - 11:22:18 CDT)
- AMBER: infinitely long DNA & moil-view? Endres, Robert G. (Tue Oct 14 2003 - 13:57:43 CDT)
- AMBER: 'vlimit exceeded' Vikas Varshney (Tue Oct 14 2003 - 14:36:19 CDT)
- AMBER: tru64 alpha Mu Yuguang (Dr) (Tue Oct 14 2003 - 20:19:06 CDT)
- RE: AMBER: tru64 alpha Mu Yuguang (Dr) (Wed Oct 15 2003 - 02:07:45 CDT)
- RE: AMBER: tru64 alpha Bill Ross (Wed Oct 15 2003 - 09:38:45 CDT)
- Re: AMBER: tru64 alpha Robert Duke (Wed Oct 15 2003 - 21:51:20 CDT)
- RE: AMBER: tru64 alpha Mu Yuguang (Dr) (Wed Oct 15 2003 - 21:59:29 CDT)
- RE: AMBER: tru64 alpha Mu Yuguang (Dr) (Thu Oct 16 2003 - 19:40:56 CDT)
- RE: AMBER: tru64 alpha Mu Yuguang (Dr) (Thu Oct 16 2003 - 20:52:41 CDT)
- RE: AMBER: tru64 alpha Mu Yuguang (Dr) (Thu Oct 16 2003 - 21:08:14 CDT)
- AMBER: Restraints to maintain base pair planarity Mahadevan Seetharaman (Tue Oct 14 2003 - 22:10:29 CDT)
- AMBER: a problem with xleap Ye Mei (Wed Oct 15 2003 - 03:03:36 CDT)
- AMBER: STREAM problems : segmentation fault with CARNAL Jean-François Taly (Wed Oct 15 2003 - 05:03:35 CDT)
- AMBER: charmm force field in amber Hyonseok Hwang (Thu Oct 16 2003 - 13:05:36 CDT)
- Re: AMBER: a problem with xleap Bill Ross (Thu Oct 16 2003 - 13:22:42 CDT)
- AMBER: problem in tleap aini_at_UMDNJ.EDU (Fri Oct 17 2003 - 10:41:27 CDT)
- AMBER: Implicit precision in sander vs architecture Teletchéa Stéphane (Fri Oct 17 2003 - 10:42:41 CDT)
- Re: AMBER: Implicit precision in sander vs architecture David A. Case (Fri Oct 17 2003 - 11:05:15 CDT)
- RE: AMBER: Implicit precision in sander vs architecture Yong Duan (Fri Oct 17 2003 - 11:30:31 CDT)
- Re: AMBER: Implicit precision in sander vs architecture David E. Konerding (Fri Oct 17 2003 - 12:05:14 CDT)
- Re: AMBER: Implicit precision in sander vs architecture Teletchéa Stéphane (Mon Oct 20 2003 - 03:45:04 CDT)
- Re: AMBER: Implicit precision in sander vs architecture Robert Duke (Mon Oct 20 2003 - 08:01:47 CDT)
- AMBER: ECC vs non-ECC (non-amber issue) Yong Duan (Mon Oct 20 2003 - 21:04:37 CDT)
- Re: AMBER: ECC vs non-ECC (non-amber issue) Robert Duke (Mon Oct 20 2003 - 21:40:24 CDT)
- Re: AMBER: Implicit precision in sander vs architecture David A. Case (Mon Oct 20 2003 - 19:13:15 CDT)
- Re: AMBER: Implicit precision in sander vs architecture David E. Konerding (Fri Oct 17 2003 - 12:05:14 CDT)
- Re: AMBER: Implicit precision in sander vs architecture Bill Ross (Fri Oct 17 2003 - 13:10:46 CDT)
- Re: AMBER: Implicit precision in sander vs architecture Amber Administration (Mon Oct 20 2003 - 18:18:02 CDT)
- AMBER: a question Pingna Xu (Fri Oct 17 2003 - 16:01:12 CDT)
- AMBER: one more question Pingna Xu (Sat Oct 18 2003 - 13:01:32 CDT)
- AMBER: carnal Frederico.Miranda_at_ibmb.uib.no (Sun Oct 19 2003 - 14:48:06 CDT)
- AMBER: more questions about igb Pingna Xu (Sun Oct 19 2003 - 22:54:49 CDT)
- AMBER: memory SC45 Mu Yuguang (Dr) (Mon Oct 20 2003 - 21:39:29 CDT)
- Re: AMBER: memory SC45 Bill Ross (Mon Oct 20 2003 - 22:19:37 CDT)
- AMBER: how to mend the peptide with missing residues? Ye Mei (Tue Oct 21 2003 - 10:07:14 CDT)
- AMBER: frozen x unfrozen Herbert Georg (Tue Oct 21 2003 - 14:04:44 CDT)
- Re: AMBER: frozen x unfrozen Bill Ross (Tue Oct 21 2003 - 14:52:55 CDT)
- AMBER: antechamber and bond type Herbert Georg (Wed Oct 22 2003 - 07:56:15 CDT)
- AMBER: Simulation of small protein Endres, Robert G. (Thu Oct 23 2003 - 10:52:52 CDT)
- AMBER: correlated motion Jory L. Zmuda (Thu Oct 23 2003 - 13:17:01 CDT)
- AMBER: mddisplay Anonymous (Thu Oct 23 2003 - 15:57:37 CDT)
- AMBER: SHAKE question Herbert Georg (Thu Oct 23 2003 - 17:17:45 CDT)
- Re: AMBER: SHAKE question Bill Ross (Thu Oct 23 2003 - 17:24:20 CDT)
- AMBER: carnal iteration deviation from original crd file Dalmaris, John (Fri Oct 24 2003 - 06:11:36 CDT)
- Re: AMBER: carnal iteration deviation from original crd file Vlad Cojocaru (Fri Oct 24 2003 - 06:32:17 CDT)
- RE: AMBER: carnal iteration deviation from original crd file Dalmaris, John (Fri Oct 24 2003 - 07:29:28 CDT)
- RE: AMBER: carnal iteration deviation from original crd file Bill Ross (Fri Oct 24 2003 - 10:35:53 CDT)
- AMBER: prmtop file format Herbert Georg (Fri Oct 24 2003 - 09:37:42 CDT)
- Re: AMBER: carnal iteration deviation from original crd file Bill Ross (Fri Oct 24 2003 - 10:31:17 CDT)
- AMBER: Pressure in NVT ensemble Shiang-Tai Lin (Fri Oct 24 2003 - 12:44:21 CDT)
- AMBER: RMSD and Radius of Gyration Endres, Robert G. (Sat Oct 25 2003 - 17:24:07 CDT)
- AMBER: comparing versions 6.0 and 7.0 of AMBER Therese Malliavin (Mon Oct 27 2003 - 03:30:21 CST)
- AMBER: amber 7 for industrial application Jose Gallego (Mon Oct 27 2003 - 07:18:16 CST)
- AMBER: solute images Sandro Fornili (Mon Oct 27 2003 - 09:28:34 CST)
- AMBER: Implicit MD simulations in Amber7 Joey Harriman (Mon Oct 27 2003 - 12:53:01 CST)
- AMBER: Removal of Rotational and Translational Motion in AMBER6 Richard Smith (Mon Oct 27 2003 - 14:51:59 CST)
- AMBER: aminoacid mutation Ioana Cozmuta (Mon Oct 27 2003 - 18:46:13 CST)
- RE: AMBER: aminoacid mutation Yong Duan (Mon Oct 27 2003 - 20:09:02 CST)
- AMBER: aminoacid mutation Wayne Dawson (Mon Oct 27 2003 - 23:47:25 CST)
- RE: AMBER: aminoacid mutation Endres, Robert G. (Mon Oct 27 2003 - 21:02:15 CST)
- RE: AMBER: aminoacid mutation Bill Ross (Mon Oct 27 2003 - 23:09:23 CST)
- RE: AMBER: aminoacid mutation Sivakolundu, Sivashankar (Tue Oct 28 2003 - 09:43:38 CST)
- Re: AMBER: aminoacid mutation Amber Administration (Tue Oct 28 2003 - 16:34:47 CST)
- AMBER: SC45 Mu Yuguang (Dr) (Mon Oct 27 2003 - 19:12:29 CST)
- AMBER: Radius of Gyration and RMSD Jagannadh B (Tue Oct 28 2003 - 03:36:55 CST)
- AMBER: how to measure the minor groove widths of a DNA? zhaoxc_at_puccini.che.pitt.edu (Tue Oct 28 2003 - 11:16:06 CST)
- AMBER: ibelly problem Vikas Varshney (Tue Oct 28 2003 - 13:34:00 CST)
- AMBER: Installation Problem, xleap can't load pdb files Jonathan Neidigh (Tue Oct 28 2003 - 17:19:59 CST)
- AMBER: mddisplay Anonymous (Tue Oct 28 2003 - 18:21:04 CST)
- AMBER: reduce box and delete excess solvent Endres, Robert G. (Wed Oct 29 2003 - 13:31:52 CST)
- AMBER: MD simulation: enzyme and its substrate Do Anh Tuan (Wed Oct 29 2003 - 13:52:24 CST)
- Re: AMBER: MD simulation: enzyme and its substrate!! Pradipta Bandyopadhyay (Wed Oct 29 2003 - 14:26:17 CST)
- AMBER: JAC on NCSA titan (Itanium 2 833MHZ) Qiang Lu (Wed Oct 29 2003 - 16:09:56 CST)
- AMBER: wangf2 (Thu Oct 30 2003 - 10:00:15 CST)
- AMBER: minimize a covalently bounded protein-ligand complex Eric Hu (Thu Oct 30 2003 - 17:36:53 CST)
- AMBER: What does this error message mean? nie beining (Fri Oct 31 2003 - 09:34:40 CST)
- AMBER: PMEMD 3.1 Release - High Scalability Update to PMEMD Robert Duke (Fri Oct 31 2003 - 09:40:37 CST)
- AMBER: large file for carnal volodya (Sat Oct 04 2003 - 12:12:37 CDT)
- AMBER: RMSd per residue volodya (Tue Oct 07 2003 - 07:58:20 CDT)
Last message date: Fri Feb 06 2004 - 10:15:04 CST
Archived on: Thu May 05 2005 - 14:17:45 CDT
274 messages sorted by: [ author ] [ date ] [ subject ]
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