AMBER Archive (2004) - Aug 2004 By DateMost recent messages
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Starting: Mon Aug 02 2004 - 04:15:34 CDT
Ending: Tue Aug 31 2004 - 23:53:20 CDT
- Re: AMBER: tleap: automatically identify and connect disulfide bonds? Raik Grünberg (Mon Aug 02 2004 - 04:15:34 CDT)
- Re: AMBER: ptraj: load crd without hydrogen (i.e. missing parm file) Raik Grünberg (Mon Aug 02 2004 - 04:30:56 CDT)
- Re: AMBER: lib file anita Pachaimuthu (Mon Aug 02 2004 - 09:27:51 CDT)
- AMBER: FW: Imaging problem Steve Seibold (Mon Aug 02 2004 - 15:32:37 CDT)
- AMBER: recompiling amber8 Carsten Detering (Mon Aug 02 2004 - 19:57:19 CDT)
- Re: AMBER: recompiling amber8 David A. Case (Mon Aug 02 2004 - 20:18:25 CDT)
- Re: AMBER: recompiling amber8 Robert Duke (Mon Aug 02 2004 - 20:12:52 CDT)
- AMBER: Minimum imaging Grace Li (Mon Aug 02 2004 - 22:21:50 CDT)
- Re: AMBER: mm_pbsa Abmer8 example Holger Gohlke (Tue Aug 03 2004 - 01:39:06 CDT)
- AMBER: charge not zero anshul_at_imtech.res.in (Tue Aug 03 2004 - 12:29:12 CDT)
- AMBER: cpinutil.pl error Rukman Hertadi (Tue Aug 03 2004 - 06:22:59 CDT)
- Re: AMBER: Minimum imaging David A. Case (Tue Aug 03 2004 - 09:25:47 CDT)
- Re: AMBER: charge not zero FyD (Tue Aug 03 2004 - 09:46:54 CDT)
- Re: AMBER: recompiling amber8 Carsten Detering (Tue Aug 03 2004 - 10:55:04 CDT)
- Re: AMBER: recompiling amber8 Robert Duke (Tue Aug 03 2004 - 11:30:41 CDT)
- AMBER: xleap problem fixed! HL Eastwood (Tue Aug 03 2004 - 12:20:21 CDT)
- Re: AMBER: cpinutil.pl error John Mongan (Tue Aug 03 2004 - 13:03:40 CDT)
- Re: AMBER: recompiling amber8 Xiao Jian Tan (Tue Aug 03 2004 - 13:02:12 CDT)
- Re: AMBER: recompiling amber8 Viktor Hornak (Tue Aug 03 2004 - 15:31:00 CDT)
- AMBER: mm_pbsa problem Carsten Detering (Tue Aug 03 2004 - 15:49:34 CDT)
- AMBER: Problem: Installing Amber8 on PC with Windows XP Nhat-hang Duong (Tue Aug 03 2004 - 15:38:55 CDT)
- AMBER: Re: Phosphoserine residue in AMBER David A. Case (Tue Aug 03 2004 - 16:23:20 CDT)
- Re: AMBER: Problem: Installing Amber8 on PC with Windows XP fangyu liang (Tue Aug 03 2004 - 16:47:08 CDT)
- Re: AMBER: Problem: Installing Amber8 on PC with Windows XP David A. Case (Tue Aug 03 2004 - 17:28:25 CDT)
- Re: AMBER: mm_pbsa problem Ray Luo (Tue Aug 03 2004 - 18:18:48 CDT)
- Re: AMBER: Minimum imaging Joseph Nachman (Wed Aug 04 2004 - 00:01:54 CDT)
- AMBER: Bug and Patch in ANAL Andy Purkiss (Wed Aug 04 2004 - 10:38:30 CDT)
- Re: AMBER: charge not zero anshul_at_imtech.res.in (Wed Aug 04 2004 - 22:48:11 CDT)
- AMBER: RMSD result from GB model Yongzhi Chen (Wed Aug 04 2004 - 12:35:03 CDT)
- AMBER: atoms not in residue templates Yongzhi Chen (Wed Aug 04 2004 - 12:53:08 CDT)
- RE: AMBER: RMSD result from GB model Ross Walker (Wed Aug 04 2004 - 13:06:50 CDT)
- AMBER: intense and spectrum Yaroslava Yingling (Wed Aug 04 2004 - 13:15:28 CDT)
- Re: AMBER: charge not zero FyD (Wed Aug 04 2004 - 13:23:13 CDT)
- RE: AMBER: atoms not in residue templates Ross Walker (Wed Aug 04 2004 - 13:26:55 CDT)
- AMBER: RE: Hello Sir, Ross Walker (Wed Aug 04 2004 - 13:32:28 CDT)
- Re: AMBER: charge not zero FyD (Wed Aug 04 2004 - 14:57:51 CDT)
- AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Wed Aug 04 2004 - 14:23:29 CDT)
- RE: AMBER: sander.QMMM: CHARGE keyword in divcon.in file Ross Walker (Wed Aug 04 2004 - 15:48:08 CDT)
- AMBER: A question about pheTI in AMBER8 test. Chunhu Tan (Wed Aug 04 2004 - 16:35:48 CDT)
- Re: AMBER: A question about pheTI in AMBER8 test. David A. Case (Wed Aug 04 2004 - 18:38:52 CDT)
- Re: AMBER: intense and spectrum David A. Case (Wed Aug 04 2004 - 18:41:13 CDT)
- Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Wed Aug 04 2004 - 19:08:07 CDT)
- Re: AMBER: RMSD result from GB model Marcin Krol (Thu Aug 05 2004 - 03:32:36 CDT)
- AMBER: Angle parameters in phosphate groups Seongeun Yang (Thu Aug 05 2004 - 07:17:44 CDT)
- Re: AMBER: Bug and Patch in ANAL David A. Case (Thu Aug 05 2004 - 10:44:38 CDT)
- AMBER: How to covalently bind a ligand to a residue? Ozlem Demir (Thu Aug 05 2004 - 10:54:19 CDT)
- AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Thu Aug 05 2004 - 17:03:36 CDT)
- Re: AMBER: sander.QMMM: CHARGE keyword in divcon.in file M. L. Dodson (Thu Aug 05 2004 - 17:30:20 CDT)
- Re: AMBER: Using TIP4P water in free energy calculation David A. Case (Thu Aug 05 2004 - 17:35:22 CDT)
- Re: AMBER: A question about pheTI in AMBER8 test. Chunhu Tan (Thu Aug 05 2004 - 17:56:56 CDT)
- Re: AMBER: A question about pheTI in AMBER8 test. David A. Case (Thu Aug 05 2004 - 19:39:06 CDT)
- AMBER: sander error Rukman Hertadi (Thu Aug 05 2004 - 23:33:41 CDT)
- RE: AMBER: sander error Ross Walker (Thu Aug 05 2004 - 23:50:09 CDT)
- Re: AMBER: How to covalently bind a ligand to a residue? Bimo Ario Tejo (Fri Aug 06 2004 - 00:06:02 CDT)
- Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Fri Aug 06 2004 - 00:04:07 CDT)
- AMBER: another cpinutil.pl error Rukman Hertadi (Fri Aug 06 2004 - 00:35:09 CDT)
- Re: AMBER: How to covalently bind a ligand to a residue? david.evans_at_ulsop.ac.uk (Fri Aug 06 2004 - 03:11:39 CDT)
- Re: AMBER: How to covalently bind a ligand to a residue? david.evans_at_ulsop.ac.uk (Fri Aug 06 2004 - 03:22:17 CDT)
- Re: AMBER: Using TIP4P water in free energy calculation David A. Case (Fri Aug 06 2004 - 10:56:46 CDT)
- Re: AMBER: another cpinutil.pl error David A. Case (Fri Aug 06 2004 - 10:58:46 CDT)
- AMBER: AMBER7 plastocyanin tutorial problem. tarek mahfouz (Fri Aug 06 2004 - 12:40:33 CDT)
- Re: AMBER: AMBER7 plastocyanin tutorial problem. Rhonda Torres (Fri Aug 06 2004 - 12:57:42 CDT)
- AMBER: RE: about PME in Amber6 Ross Walker (Fri Aug 06 2004 - 13:37:06 CDT)
- Re: AMBER: Using TIP4P water in free energy calculation Lijiang Yang (Fri Aug 06 2004 - 13:42:06 CDT)
- Re: AMBER: AMBER7 plastocyanin tutorial problem. David A. Case (Fri Aug 06 2004 - 14:09:34 CDT)
- AMBER: atomic positional fluctuation RAJA SWAMINATHAN (Sat Aug 07 2004 - 02:18:32 CDT)
- AMBER: antechamber test mathew k varghese (Sun Aug 08 2004 - 07:31:22 CDT)
- Re: AMBER: antechamber test David A. Case (Sun Aug 08 2004 - 11:40:34 CDT)
- AMBER: Problems with Carnal coordinate average HL Eastwood (Mon Aug 09 2004 - 06:35:37 CDT)
- AMBER: error while loading shared libraries: libcxa.so.5 Madalin Giambasu (Mon Aug 09 2004 - 08:54:00 CDT)
- Re: AMBER: error while loading shared libraries: libcxa.so.5 Guanglei Cui (Mon Aug 09 2004 - 09:24:06 CDT)
- Re: AMBER: error while loading shared libraries: libcxa.so.5 Mark Williamson (Mon Aug 09 2004 - 09:42:16 CDT)
- AMBER: trival question about format of pev file and covariance matrix jz7_at_duke.edu (Mon Aug 09 2004 - 10:52:03 CDT)
- AMBER: Sander sachin patil (Mon Aug 09 2004 - 11:24:59 CDT)
- Re: AMBER: Sander David A. Case (Mon Aug 09 2004 - 11:57:40 CDT)
- Re: AMBER: Problems with Carnal coordinate average Bill Ross (Mon Aug 09 2004 - 12:12:04 CDT)
- AMBER: Adding residues yen li (Mon Aug 09 2004 - 12:47:44 CDT)
- Re: AMBER: Sander sachin patil (Mon Aug 09 2004 - 13:26:20 CDT)
- RE: AMBER: Adding residues Ross Walker (Mon Aug 09 2004 - 13:50:59 CDT)
- Re: AMBER: Adding residues tarek mahfouz (Mon Aug 09 2004 - 13:51:26 CDT)
- Re: AMBER: Adding residues Rhonda Torres (Mon Aug 09 2004 - 14:00:50 CDT)
- AMBER: question about covariance matrix from ptraj jz7_at_duke.edu (Mon Aug 09 2004 - 14:25:10 CDT)
- Re: AMBER: Adding residues Bill Ross (Mon Aug 09 2004 - 14:23:08 CDT)
- AMBER: resp charge calculation for Fe+3 heme Sebastian Fernandez Alberti (Mon Aug 09 2004 - 14:45:18 CDT)
- Re: AMBER: question about covariance matrix from ptraj Elijah Gregory (Mon Aug 09 2004 - 15:00:06 CDT)
- Re: AMBER: resp charge calculation for Fe+3 heme James W. Caldwell (Mon Aug 09 2004 - 15:18:46 CDT)
- Re: AMBER: Sander David A. Case (Mon Aug 09 2004 - 17:21:12 CDT)
- AMBER: rdparm problem Lijiang Yang (Mon Aug 09 2004 - 17:43:10 CDT)
- AMBER: perturb a water to a dummy water with shake Dr. Turgut Bastug (Mon Aug 09 2004 - 19:24:25 CDT)
- AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng (Mon Aug 09 2004 - 21:28:25 CDT)
- AMBER: pb_bomb in setgrd() steven.j.enoch_at_gsk.com (Tue Aug 10 2004 - 05:34:42 CDT)
- Re: AMBER: how to correct the charge of oligosaccharides David A. Case (Tue Aug 10 2004 - 09:31:40 CDT)
- Re: AMBER: how to correct the charge of oligosaccharides Karl N. Kirschner (Tue Aug 10 2004 - 09:53:29 CDT)
- AMBER: Amber8 - LAM MPI Compilation problems Thomas Steinbrecher (Tue Aug 10 2004 - 11:16:38 CDT)
- AMBER: RESP partial charge calculation Sebastian Fernandez Alberti (Tue Aug 10 2004 - 11:21:06 CDT)
- Re: AMBER: pb_bomb in setgrd() Ray Luo (Tue Aug 10 2004 - 11:29:13 CDT)
- RE: AMBER: Amber8 - LAM MPI Compilation problems Ross Walker (Tue Aug 10 2004 - 11:59:33 CDT)
- Re: AMBER: RESP partial charge calculation James W. Caldwell (Tue Aug 10 2004 - 12:25:55 CDT)
- Re: AMBER: RESP partial charge calculation FyD (Tue Aug 10 2004 - 12:46:16 CDT)
- AMBER: unknown residue: ABA Guowen Han (Tue Aug 10 2004 - 13:31:25 CDT)
- AMBER: Re: RED II and changepot FyD (Tue Aug 10 2004 - 13:35:05 CDT)
- RE: AMBER: unknown residue: ABA Ross Walker (Tue Aug 10 2004 - 13:46:14 CDT)
- Re: AMBER: unknown residue: ABA Bill Ross (Tue Aug 10 2004 - 14:20:36 CDT)
- AMBER: Membrane protein simulation Gabbar Daaku (Tue Aug 10 2004 - 15:37:22 CDT)
- AMBER: bugfix.all Lihua Wang (Tue Aug 10 2004 - 15:48:51 CDT)
- Re: AMBER: unknown residue: ABA Lao_3 (Tue Aug 10 2004 - 16:45:27 CDT)
- AMBER: Atomic charges in Lactose Johnson Agbo (Tue Aug 10 2004 - 19:23:53 CDT)
- RE: AMBER: bugfix.all Ross Walker (Tue Aug 10 2004 - 19:54:25 CDT)
- Re: AMBER: Membrane protein simulation David A. Case (Tue Aug 10 2004 - 20:06:57 CDT)
- AMBER: From Andrew Box: Invitation and new email address box_twin2_at_hotmail.com (Tue Aug 10 2004 - 19:39:25 CDT)
- AMBER: installing amber 8 on 64 bit amd opteron Dr Gavin Seddon (Wed Aug 11 2004 - 00:55:05 CDT)
- AMBER: different cooling schedules for simulated annealing Madalin Giambasu (Wed Aug 11 2004 - 06:51:09 CDT)
- Re: AMBER: Atomic charges in Lactose Karl N. Kirschner (Wed Aug 11 2004 - 07:47:46 CDT)
- Re: AMBER: different cooling schedules for simulated annealing David A. Case (Wed Aug 11 2004 - 09:41:50 CDT)
- AMBER: units Gustavo Pierdominici Sottile (Wed Aug 11 2004 - 10:03:38 CDT)
- RE: AMBER: unknown residue: ABA Lao_3 (Wed Aug 11 2004 - 10:45:44 CDT)
- Re: AMBER: different cooling schedules for simulated annealing Madalin Giambasu (Wed Aug 11 2004 - 11:23:08 CDT)
- AMBER: RESP charge derivation Vlad Cojocaru (Wed Aug 11 2004 - 11:10:19 CDT)
- AMBER: How to test the used parameters. tarek mahfouz (Wed Aug 11 2004 - 11:56:08 CDT)
- Re: AMBER: RESP charge derivation FyD (Wed Aug 11 2004 - 11:55:57 CDT)
- Re: AMBER: How to test the used parameters. Bill Ross (Wed Aug 11 2004 - 12:31:28 CDT)
- RE: AMBER: How to test the used parameters. Ross Walker (Wed Aug 11 2004 - 12:33:56 CDT)
- AMBER: opteron 64 bit workstation sachin patil (Wed Aug 11 2004 - 13:59:33 CDT)
- AMBER: parameter Gustavo Pierdominici Sottile (Wed Aug 11 2004 - 15:45:02 CDT)
- Re: AMBER: parameter Guanglei Cui (Wed Aug 11 2004 - 16:07:18 CDT)
- AMBER: Amber 8 Installation - C compiler? Nhat-hang Duong (Wed Aug 11 2004 - 16:51:51 CDT)
- Re: AMBER: Amber 8 Installation - C compiler? fangyu liang (Wed Aug 11 2004 - 19:23:03 CDT)
- RE: AMBER: Amber 8 Installation - C compiler? Ross Walker (Wed Aug 11 2004 - 19:37:45 CDT)
- Re: AMBER: Amber 8 Installation - C compiler? Do Anh Tuan (Thu Aug 12 2004 - 00:28:37 CDT)
- Re: AMBER: how to correct the charge of oligosaccharides Wen-Chi Tseng (Thu Aug 12 2004 - 04:16:38 CDT)
- AMBER: Gaussian in RED Vlad Cojocaru (Thu Aug 12 2004 - 07:37:05 CDT)
- AMBER: Angle parameters in phosphate groups Seongeun Yang (Thu Aug 12 2004 - 08:29:02 CDT)
- Re: AMBER: Angle parameters in phosphate groups Guanglei Cui (Thu Aug 12 2004 - 09:18:06 CDT)
- Re: AMBER: different cooling schedules for simulated annealing David A. Case (Thu Aug 12 2004 - 09:55:45 CDT)
- Re: AMBER: units David A. Case (Thu Aug 12 2004 - 09:56:09 CDT)
- AMBER: ptraj -- velocities set to zero? Gabbar Daaku (Thu Aug 12 2004 - 10:53:04 CDT)
- AMBER: minimization output file format Marsita M (Thu Aug 12 2004 - 12:51:35 CDT)
- AMBER: bending Gustavo Pierdominici Sottile (Thu Aug 12 2004 - 14:28:42 CDT)
- RE: AMBER: minimization output file format Ross Walker (Thu Aug 12 2004 - 14:43:02 CDT)
- Re: AMBER: bending David A. Case (Thu Aug 12 2004 - 14:48:30 CDT)
- Re: AMBER: opteron 64 bit workstation David A. Case (Thu Aug 12 2004 - 14:55:13 CDT)
- AMBER: bending Gustavo Pierdominici Sottile (Thu Aug 12 2004 - 15:47:16 CDT)
- AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Madalin Giambasu (Fri Aug 13 2004 - 05:02:57 CDT)
- RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Niko Jukarainen (Fri Aug 13 2004 - 05:09:10 CDT)
- AMBER: RED fails to read g94 output Vlad Cojocaru (Fri Aug 13 2004 - 05:35:20 CDT)
- AMBER: Amber: xleap crash Helios (Fri Aug 13 2004 - 07:00:30 CDT)
- AMBER: RED BUG!!!!...perhaps I fixed it Vlad Cojocaru (Fri Aug 13 2004 - 07:34:50 CDT)
- AMBER: RED BUG!!! Vlad Cojocaru (Fri Aug 13 2004 - 07:56:25 CDT)
- AMBER: Antechamber and dummy atoms Perdita Barran (Fri Aug 13 2004 - 08:03:44 CDT)
- Re: AMBER: Antechamber and dummy atoms David A. Case (Fri Aug 13 2004 - 09:49:49 CDT)
- RE: AMBER: Amber: xleap crash Ross Walker (Fri Aug 13 2004 - 11:23:50 CDT)
- AMBER: pmemd config.h request for athlon Madalin Giambasu (Fri Aug 13 2004 - 12:47:53 CDT)
- Re: AMBER: Antechamber and dummy atoms Oliver Hucke (Fri Aug 13 2004 - 12:55:57 CDT)
- RE: AMBER: pmemd config.h request for athlon Ross Walker (Fri Aug 13 2004 - 13:09:15 CDT)
- Re: AMBER: pmemd config.h request for athlon Robert Duke (Fri Aug 13 2004 - 13:40:05 CDT)
- Re: AMBER: pmemd config.h request for athlon Robert Duke (Fri Aug 13 2004 - 13:42:42 CDT)
- AMBER: Temp control ding (Fri Aug 13 2004 - 13:46:20 CDT)
- AMBER: pmemd problems Florian Barth (Fri Aug 13 2004 - 13:52:22 CDT)
- Re: AMBER: pmemd problems Robert Duke (Fri Aug 13 2004 - 14:14:39 CDT)
- AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 15:08:33 CDT)
- Re: AMBER: Temp control David A. Case (Fri Aug 13 2004 - 15:13:20 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 15:28:26 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 15:20:14 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 15:41:27 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Fri Aug 13 2004 - 16:08:27 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Fri Aug 13 2004 - 16:22:30 CDT)
- AMBER: Bug: ptraj adds spurious box information Don Bashford (Fri Aug 13 2004 - 15:27:54 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question David A. Case (Fri Aug 13 2004 - 17:07:42 CDT)
- Re: AMBER: Bug: ptraj adds spurious box information David A. Case (Fri Aug 13 2004 - 17:13:33 CDT)
- Re: AMBER: Gaussian in RED FyD (Sat Aug 14 2004 - 00:16:30 CDT)
- Re: AMBER: RED fails to read g94 output FyD (Sat Aug 14 2004 - 00:34:21 CDT)
- Re: AMBER: RED fails to read g94 output FyD (Sat Aug 14 2004 - 03:26:33 CDT)
- AMBER: simulated annealing Lee SL (Sat Aug 14 2004 - 04:51:14 CDT)
- Re: AMBER: Angle parameters in phosphate groups Seongeun Yang (Sat Aug 14 2004 - 04:58:07 CDT)
- RE: AMBER: simulated annealing Lee SL (Sat Aug 14 2004 - 05:40:54 CDT)
- Re: AMBER: simulated annealing Carlos Simmerling (Sat Aug 14 2004 - 07:20:12 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Carlos Simmerling (Sat Aug 14 2004 - 07:13:23 CDT)
- AMBER: residue database Lihua Wang (Sat Aug 14 2004 - 16:55:59 CDT)
- AMBER: About the Amber constraint constant Yuhui Cheng (Sun Aug 15 2004 - 03:12:50 CDT)
- Re: AMBER: simulated annealing nurul bahiyah (Sun Aug 15 2004 - 07:42:53 CDT)
- Re: AMBER: Angle parameters in phosphate groups Guanglei Cui (Sun Aug 15 2004 - 09:08:29 CDT)
- Re: AMBER: Angle parameters in phosphate groups David A. Case (Sun Aug 15 2004 - 17:59:51 CDT)
- Re: AMBER: About the Amber constraint constant David A. Case (Sun Aug 15 2004 - 18:07:11 CDT)
- Re: AMBER: Angle parameters in phosphate groups Seongeun Yang (Mon Aug 16 2004 - 01:04:16 CDT)
- AMBER: installing amber8 Dr Gavin Seddon (Mon Aug 16 2004 - 04:20:20 CDT)
- RE: AMBER: pmemd. Osman Gani (Mon Aug 16 2004 - 08:03:15 CDT)
- AMBER: ANAL memory problem. Osman Gani (Mon Aug 16 2004 - 08:16:15 CDT)
- Re: AMBER: pmemd. Robert Duke (Mon Aug 16 2004 - 09:33:21 CDT)
- Re: AMBER: pmemd. - OOPS!!! Robert Duke (Mon Aug 16 2004 - 09:45:03 CDT)
- Re: AMBER: pmemd. David E. Konerding (Mon Aug 16 2004 - 11:27:02 CDT)
- Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin (Mon Aug 16 2004 - 12:14:38 CDT)
- RE: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Ross Walker (Mon Aug 16 2004 - 13:13:09 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 13:17:35 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Mon Aug 16 2004 - 13:45:08 CDT)
- AMBER: temperature control in coupled potential runs M. L. Dodson (Mon Aug 16 2004 - 14:05:49 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 14:18:50 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question Viktor Hornak (Mon Aug 16 2004 - 14:26:27 CDT)
- Re: AMBER: Moil-view, prmtop, inpcrd question opitz_at_che.udel.edu (Mon Aug 16 2004 - 14:51:30 CDT)
- AMBER: Improving PMEMD performance on gigabit ethernet Linux clusters Robert Duke (Mon Aug 16 2004 - 16:17:45 CDT)
- Re: AMBER: ANAL memory problem. David A. Case (Mon Aug 16 2004 - 20:34:22 CDT)
- AMBER: Amber: Anal program format Helios (Tue Aug 17 2004 - 01:15:57 CDT)
- Re: AMBER: About the Amber constraint constant Yuhui Cheng (Tue Aug 17 2004 - 01:34:24 CDT)
- Re: AMBER: question about compilation of AMBER8 on MANDRAKE9.2 Sarah Rankin (Tue Aug 17 2004 - 03:18:30 CDT)
- AMBER: peoblemwith RED II anshul_at_imtech.res.in (Tue Aug 17 2004 - 14:15:30 CDT)
- RE: AMBER: ANAL memory problem. Osman Gani (Tue Aug 17 2004 - 05:38:42 CDT)
- AMBER: Improving PMEMD Performance on gigabit ethernet - CORRECTION Robert Duke (Tue Aug 17 2004 - 07:42:33 CDT)
- Re: AMBER: About the Amber constraint constant David A. Case (Tue Aug 17 2004 - 10:08:04 CDT)
- Re: AMBER: Amber: Anal program format David A. Case (Tue Aug 17 2004 - 11:14:31 CDT)
- Re: AMBER: ANAL memory problem. David A. Case (Tue Aug 17 2004 - 11:33:03 CDT)
- AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 13:44:04 CDT)
- Re: AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 14:23:27 CDT)
- Re: AMBER: leap: impose Guanglei Cui (Tue Aug 17 2004 - 15:15:27 CDT)
- AMBER: RESP calculation with different multiplicities Sebastian Fernandez Alberti (Tue Aug 17 2004 - 15:44:54 CDT)
- AMBER: turning off HB interactions Taner E. Dirama (Tue Aug 17 2004 - 15:12:34 CDT)
- AMBER: Dr. Herman Von Grafenstein Harsh Parikh (Tue Aug 17 2004 - 18:43:06 CDT)
- AMBER: mm-gbsa Oliver Hucke (Tue Aug 17 2004 - 18:59:21 CDT)
- AMBER: intrinsic born radius of Br Oliver Hucke (Tue Aug 17 2004 - 20:33:18 CDT)
- AMBER: thermal ellipsoid-DNA RAJA SWAMINATHAN (Thu Aug 19 2004 - 04:29:34 CDT)
- AMBER: angle bending Gustavo Pierdominici Sottile (Thu Aug 19 2004 - 07:31:21 CDT)
- AMBER: metal atoms in Xleap Atilio Anzellotti (Thu Aug 19 2004 - 10:05:23 CDT)
- RE: AMBER: metal atoms in Xleap Ross Walker (Thu Aug 19 2004 - 11:59:28 CDT)
- Re: AMBER: metal atoms in Xleap Rhonda Torres (Thu Aug 19 2004 - 11:57:04 CDT)
- RE: AMBER: angle bending Ross Walker (Thu Aug 19 2004 - 12:09:52 CDT)
- AMBER: how to read in CHARMM or AMBER binary trajectories Grace Li (Thu Aug 19 2004 - 13:19:48 CDT)
- RE: AMBER: how to read in CHARMM or AMBER binary trajectories Ross Walker (Thu Aug 19 2004 - 13:30:59 CDT)
- AMBER: can MM-PBSA be applied to Charmm format trajectory file? jz7_at_duke.edu (Thu Aug 19 2004 - 13:55:06 CDT)
- RE: AMBER: can MM-PBSA be applied to Charmm format trajectory file? Ross Walker (Thu Aug 19 2004 - 14:02:50 CDT)
- AMBER: mmpbsa question Sébastien Osborne (Thu Aug 19 2004 - 14:58:42 CDT)
- AMBER: born radius and screening parameter for Br Oliver Hucke (Thu Aug 19 2004 - 17:58:44 CDT)
- AMBER: questions on mm_pbsa cailliez (Fri Aug 20 2004 - 07:13:51 CDT)
- Re: AMBER: metal atoms in Xleap Atilio Anzellotti (Fri Aug 20 2004 - 13:43:51 CDT)
- AMBER: Updating Amber 7 Johnson Agbo (Fri Aug 20 2004 - 13:52:23 CDT)
- Re: AMBER: metal atoms in Xleap Jiri Sponer (Fri Aug 20 2004 - 14:04:32 CDT)
- AMBER: mm_pbsa.pl in Amber8 Shan, Jufang (Fri Aug 20 2004 - 14:13:54 CDT)
- Re: AMBER: Atomic charges in Lactose Johnson Agbo (Fri Aug 20 2004 - 14:35:48 CDT)
- AMBER: Minimization error opitz_at_che.udel.edu (Fri Aug 20 2004 - 14:43:31 CDT)
- Re: AMBER: metal atoms in Xleap Atilio Anzellotti (Fri Aug 20 2004 - 15:25:47 CDT)
- RE: AMBER: Minimization error Ross Walker (Fri Aug 20 2004 - 17:48:27 CDT)
- AMBER: Increasing MAXATOM in antechamber Niko Jukarainen (Sat Aug 21 2004 - 04:45:08 CDT)
- Re: AMBER: questions on mm_pbsa Thomas Steinbrecher (Sat Aug 21 2004 - 06:59:46 CDT)
- Re: AMBER: Increasing MAXATOM in antechamber Guanglei Cui (Sat Aug 21 2004 - 10:07:10 CDT)
- Re: AMBER: Increasing MAXATOM in antechamber Niko Jukarainen (Sat Aug 21 2004 - 11:13:56 CDT)
- Re: AMBER: mm_pbsa.pl in Amber8 Sarah Rankin (Mon Aug 23 2004 - 05:00:21 CDT)
- AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 12:59:30 CDT)
- RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 13:20:15 CDT)
- RE: AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 14:07:32 CDT)
- RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 14:29:06 CDT)
- RE: AMBER: Sander : Vrand flag sachin patil (Mon Aug 23 2004 - 14:54:52 CDT)
- AMBER: error estimates in AMBER Grace Li (Mon Aug 23 2004 - 15:43:14 CDT)
- RE: AMBER: Sander : Vrand flag Ross Walker (Mon Aug 23 2004 - 15:58:15 CDT)
- AMBER: NTT=0 and TAUTP Gabbar Daaku (Mon Aug 23 2004 - 17:25:26 CDT)
- RE: AMBER: NTT=0 and TAUTP Ross Walker (Mon Aug 23 2004 - 18:03:30 CDT)
- AMBER: how to deal with the initial structure? hj zou (Mon Aug 23 2004 - 20:48:22 CDT)
- RE: AMBER: how to deal with the initial structure? Ross Walker (Mon Aug 23 2004 - 21:19:23 CDT)
- AMBER: problem loading pdb in leap. anshul_at_imtech.res.in (Tue Aug 24 2004 - 09:52:05 CDT)
- RE: AMBER: problem loading pdb in leap. Ross Walker (Mon Aug 23 2004 - 23:53:49 CDT)
- RE: AMBER: problem loading pdb in leap. anshul_at_imtech.res.in (Tue Aug 24 2004 - 11:34:58 CDT)
- RE: AMBER: problem loading pdb in leap. Andrew Box (Tue Aug 24 2004 - 01:30:46 CDT)
- AMBER: freezing atoms in impliciti solvent Sergio E. Wong (Tue Aug 24 2004 - 12:27:32 CDT)
- RE: AMBER: problem loading pdb in leap. Ross Walker (Tue Aug 24 2004 - 12:35:08 CDT)
- Re: AMBER: freezing atoms in impliciti solvent Carlos Simmerling (Tue Aug 24 2004 - 12:54:58 CDT)
- RE: AMBER: Sander : Vrand flag Furse, Kristina Elisabet (Tue Aug 24 2004 - 13:47:38 CDT)
- Re: AMBER: how to deal with the initial structure? Furse, Kristina Elisabet (Tue Aug 24 2004 - 14:29:39 CDT)
- Re: AMBER: Minimization error opitz_at_che.udel.edu (Tue Aug 24 2004 - 16:09:15 CDT)
- AMBER: Trajectory file conversion between Amber & Charmm CK Sim (Tue Aug 24 2004 - 15:42:19 CDT)
- RE: AMBER: Trajectory file conversion between Amber & Charmm Ross Walker (Tue Aug 24 2004 - 18:51:17 CDT)
- AMBER: mutation of Tyr to Leu with TI Oliver Hucke (Tue Aug 24 2004 - 18:56:47 CDT)
- Re: AMBER: mutation of Tyr to Leu with TI Thomas Steinbrecher (Wed Aug 25 2004 - 02:17:34 CDT)
- AMBER: density calculation in AMBER output Grace Li (Wed Aug 25 2004 - 08:51:47 CDT)
- AMBER: restart a MD after replacing molecules cailliez (Wed Aug 25 2004 - 09:03:41 CDT)
- AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong (Wed Aug 25 2004 - 10:34:28 CDT)
- RE: AMBER: Amber 8 - Energy Minimization Parameters Ross Walker (Wed Aug 25 2004 - 11:02:31 CDT)
- RE: AMBER: density calculation in AMBER output Ross Walker (Wed Aug 25 2004 - 12:11:02 CDT)
- RE: AMBER: Minimization error Ross Walker (Wed Aug 25 2004 - 12:23:13 CDT)
- RE: AMBER: restart a MD after replacing molecules Ross Walker (Wed Aug 25 2004 - 12:29:13 CDT)
- AMBER: Lennard-Jones particle simulation Guanglei Cui (Wed Aug 25 2004 - 14:38:57 CDT)
- Re: AMBER: Lennard-Jones particle simulation Thomas E. Cheatham, III (Wed Aug 25 2004 - 15:05:58 CDT)
- Re: AMBER: Lennard-Jones particle simulation Carlos Simmerling (Wed Aug 25 2004 - 15:06:47 CDT)
- Re: AMBER: Lennard-Jones particle simulation darden (Wed Aug 25 2004 - 15:57:15 CDT)
- RE: AMBER: Amber 8 - Energy Minimization Parameters Nhat-hang Duong (Wed Aug 25 2004 - 15:26:56 CDT)
- Re: AMBER: Minimization error opitz_at_che.udel.edu (Wed Aug 25 2004 - 15:55:24 CDT)
- Re: AMBER: Lennard-Jones particle simulation Guanglei Cui (Wed Aug 25 2004 - 16:11:37 CDT)
- Re: AMBER: Lennard-Jones particle simulation Piotr Cieplak (Wed Aug 25 2004 - 17:31:37 CDT)
- RE: AMBER: Minimization error Ross Walker (Wed Aug 25 2004 - 17:35:18 CDT)
- AMBER: About tree structure of TRP residue Yuhui Cheng (Wed Aug 25 2004 - 18:46:36 CDT)
- Re: AMBER: About tree structure of TRP residue Lihua Wang (Wed Aug 25 2004 - 19:16:46 CDT)
- Re: AMBER: About tree structure of TRP residue Yuhui Cheng (Wed Aug 25 2004 - 19:35:13 CDT)
- Re: AMBER: About tree structure of TRP residue Bill Ross (Wed Aug 25 2004 - 19:56:13 CDT)
- AMBER: One more question about the tree structure of looping residues Yuhui Cheng (Wed Aug 25 2004 - 22:11:36 CDT)
- Re: AMBER: restart a MD after replacing molecules cailliez (Thu Aug 26 2004 - 03:38:55 CDT)
- AMBER: ptraj and hbond Nelson Fonseca (Thu Aug 26 2004 - 04:50:39 CDT)
- AMBER: problem loading molecule in leap anshul_at_imtech.res.in (Thu Aug 26 2004 - 15:38:44 CDT)
- AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 08:28:24 CDT)
- Re: AMBER: Amber8 - Floating point Carlos Simmerling (Thu Aug 26 2004 - 09:00:52 CDT)
- Re: AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 09:15:00 CDT)
- Re: AMBER: Amber8 - Floating point Carlos Simmerling (Thu Aug 26 2004 - 09:25:31 CDT)
- AMBER: question on minimization Venkata S Koppuravuri (Thu Aug 26 2004 - 10:41:48 CDT)
- Re: AMBER: peoblemwith RED II FyD (Thu Aug 26 2004 - 10:44:16 CDT)
- Re: AMBER: Amber8 - Floating point Michael Crowley (Thu Aug 26 2004 - 10:56:06 CDT)
- Re: AMBER: Amber8 - Floating point Nhat-hang Duong (Thu Aug 26 2004 - 11:51:28 CDT)
- AMBER: RESP charges in Fe+3 heme system Sebastian Fernandez Alberti (Thu Aug 26 2004 - 12:43:08 CDT)
- Re: AMBER: RESP calculation with different multiplicities FyD (Thu Aug 26 2004 - 13:09:18 CDT)
- Re: AMBER: One more question about the tree structure of looping residues Bill Ross (Thu Aug 26 2004 - 13:31:23 CDT)
- Re: AMBER: RESP charges in Fe+3 heme system FyD (Thu Aug 26 2004 - 13:33:09 CDT)
- AMBER: charge perturbation - xleap question Oliver Hucke (Thu Aug 26 2004 - 13:57:43 CDT)
- Re: AMBER: charge perturbation - xleap question Thomas Steinbrecher (Fri Aug 27 2004 - 02:19:25 CDT)
- AMBER: Biotin/streptavidin tutorial. Osman Gani (Fri Aug 27 2004 - 04:57:51 CDT)
- Re: AMBER: peoblemwith RED II FyD (Fri Aug 27 2004 - 05:02:37 CDT)
- AMBER: error for performing MD tang kwa (Fri Aug 27 2004 - 06:51:00 CDT)
- AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 10:23:08 CDT)
- Re: AMBER: snapshots of MD trajectory Guanglei Cui (Fri Aug 27 2004 - 10:27:20 CDT)
- Re: AMBER: snapshots of MD trajectory Peter Gannett (Fri Aug 27 2004 - 10:43:33 CDT)
- Re: AMBER: snapshots of MD trajectory Carlos Simmerling (Fri Aug 27 2004 - 10:36:38 CDT)
- Re: AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 11:36:06 CDT)
- AMBER: error of performing simulation tang kwa (Fri Aug 27 2004 - 12:07:21 CDT)
- Re: AMBER: Biotin/streptavidin tutorial. Bill Ross (Fri Aug 27 2004 - 12:57:47 CDT)
- Re: AMBER: snapshots of MD trajectory Guanglei Cui (Fri Aug 27 2004 - 14:38:44 CDT)
- Re: AMBER: snapshots of MD trajectory Carlos Simmerling (Fri Aug 27 2004 - 14:44:36 CDT)
- Re: AMBER: Minimization error opitz_at_che.udel.edu (Fri Aug 27 2004 - 15:56:46 CDT)
- Re: AMBER: snapshots of MD trajectory Xin Hu (Fri Aug 27 2004 - 16:15:27 CDT)
- AMBER: Neutral C and N termini. tarek mahfouz (Fri Aug 27 2004 - 17:58:18 CDT)
- Re: AMBER: peoblemwith RED II FyD (Sat Aug 28 2004 - 04:52:20 CDT)
- AMBER: nonpalar energy contribution-DMSO Dalmaris, John (Sat Aug 28 2004 - 09:11:43 CDT)
- RE: AMBER: Minimization error Ross Walker (Sat Aug 28 2004 - 14:34:31 CDT)
- AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Sun Aug 29 2004 - 01:19:18 CDT)
- AMBER: Neutral C and N termini. tarek mahfouz (Sun Aug 29 2004 - 18:37:19 CDT)
- Re: AMBER: Neutral C and N termini. M. L. Dodson (Sun Aug 29 2004 - 21:14:10 CDT)
- AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 03:01:05 CDT)
- Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 08:23:20 CDT)
- Re: AMBER: MD & net charge Chris Harrison (Mon Aug 30 2004 - 08:28:46 CDT)
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling (Mon Aug 30 2004 - 08:21:36 CDT)
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 08:51:35 CDT)
- Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 08:41:21 CDT)
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Carlos Simmerling (Mon Aug 30 2004 - 08:51:28 CDT)
- AMBER: Amber 03 Forcefield discrepancy MD Tyka, Biochemistry (Mon Aug 30 2004 - 09:36:18 CDT)
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) Madalin Giambasu (Mon Aug 30 2004 - 09:47:55 CDT)
- AMBER: Differences in RESP charges for G in RG and DG residues Vlad Cojocaru (Mon Aug 30 2004 - 10:59:35 CDT)
- Re: AMBER: Amber 03 Forcefield discrepancy Yong Duan (Mon Aug 30 2004 - 13:16:21 CDT)
- Re: AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Mon Aug 30 2004 - 15:48:00 CDT)
- Re: AMBER: MD & net charge Carlos Simmerling (Mon Aug 30 2004 - 15:57:50 CDT)
- AMBER: jwcraft_at_uh.edu (Mon Aug 30 2004 - 14:54:46 CDT)
- Re: AMBER: Bill Ross (Mon Aug 30 2004 - 16:33:38 CDT)
- Re: AMBER: MD & net charge bybaker_at_itsa.ucsf.edu (Mon Aug 30 2004 - 17:02:53 CDT)
- AMBER: Glycam-04 Parameters in Amber 7 Johnson Agbo (Mon Aug 30 2004 - 20:12:17 CDT)
- AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 01:50:09 CDT)
- AMBER: Using AMBER to simulate carbon nanotubes? Chen Song (Tue Aug 31 2004 - 05:54:26 CDT)
- Re: AMBER: parm94 Asim Okur (Tue Aug 31 2004 - 08:12:58 CDT)
- RE: AMBER: Sander : Vrand flag sachin patil (Tue Aug 31 2004 - 09:15:37 CDT)
- Re: AMBER: Using AMBER to simulate carbon nanotubes? darden (Tue Aug 31 2004 - 10:43:56 CDT)
- AMBER: Increase lastrst in the &cntrl namelist Sichun Yang (Tue Aug 31 2004 - 11:06:46 CDT)
- Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 11:21:00 CDT)
- AMBER: PBC in sander Mingfeng Yang (Tue Aug 31 2004 - 15:27:26 CDT)
- AMBER: Pulling versus Distance Restraints Nhat-hang Duong (Tue Aug 31 2004 - 16:16:15 CDT)
- Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 17:15:04 CDT)
- Re: AMBER: parm94 Lihua Wang (Tue Aug 31 2004 - 17:22:29 CDT)
- Re: AMBER: parm94 bybaker_at_itsa.ucsf.edu (Tue Aug 31 2004 - 20:57:39 CDT)
- Re: AMBER: PBC in sander David A. Case (Tue Aug 31 2004 - 22:57:49 CDT)
- Re: AMBER: David A. Case (Tue Aug 31 2004 - 22:56:27 CDT)
- Re: AMBER: Updating Amber 7 David A. Case (Tue Aug 31 2004 - 23:00:46 CDT)
- Re: AMBER: temperature scaling with ntt=3(Langevin thermostat) David A. Case (Tue Aug 31 2004 - 23:43:01 CDT)
- Re: AMBER: Increase lastrst in the &cntrl namelist David A. Case (Tue Aug 31 2004 - 23:53:20 CDT)
Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:03 CDT
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