AMBER Archive (2005) - Nov 2005 By DateMost recent messages
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Starting: Tue Nov 01 2005 - 02:15:23 CST
Ending: Wed Nov 30 2005 - 23:43:55 CST
- Re: AMBER: mm_pbsa problem Cenk Andac (Tue Nov 01 2005 - 02:15:23 CST)
- Re: AMBER: mm_pbsa problem Scott Pendley (Tue Nov 01 2005 - 16:36:48 CST)
- AMBER: About WHAM program Atsutoshi Okabe (Tue Nov 01 2005 - 21:29:14 CST)
- Re: AMBER: About WHAM program Guanglei Cui (Wed Nov 02 2005 - 07:47:01 CST)
- AMBER: fedora installation problem Simon Whitehead (Wed Nov 02 2005 - 10:11:26 CST)
- Re: AMBER: Improper Torsional Parameters David A. Case (Wed Nov 02 2005 - 10:47:34 CST)
- RE: AMBER: fedora installation problem Ross Walker (Wed Nov 02 2005 - 10:50:03 CST)
- Re: AMBER: rounding in xleap when using saveoff command... David A. Case (Wed Nov 02 2005 - 10:50:41 CST)
- AMBER: ptraj distance mask Peter Gannett (Wed Nov 02 2005 - 11:04:48 CST)
- Re: AMBER: ptraj distance mask Thomas E. Cheatham, III (Wed Nov 02 2005 - 11:32:09 CST)
- Re: AMBER: Improper Torsional Parameters Ilyas Yildirim (Wed Nov 02 2005 - 12:00:50 CST)
- AMBER: Leap error: Could not find atom type: CE Vlad Cojocaru (Wed Nov 02 2005 - 12:08:33 CST)
- Re: AMBER: Leap error: Could not find atom type: CE Ilyas Yildirim (Wed Nov 02 2005 - 12:31:23 CST)
- Re: AMBER: Leap error: Could not find atom type: CE David A. Case (Wed Nov 02 2005 - 12:57:59 CST)
- Re: AMBER: rounding in xleap when using saveoff command... Wei Zhang (Wed Nov 02 2005 - 13:34:10 CST)
- Re: AMBER: rounding in xleap when using saveoff command... Ilyas Yildirim (Wed Nov 02 2005 - 19:15:36 CST)
- RE: AMBER: fedora installation problem Scott Brozell (Wed Nov 02 2005 - 21:35:16 CST)
- AMBER: Density of Cyclohexane box chaiann ng (Wed Nov 02 2005 - 21:57:49 CST)
- RE: AMBER: Improper Torsional Parameters Ross Walker (Wed Nov 02 2005 - 22:06:28 CST)
- AMBER: EEL and EAMBER values Andrew Box (Wed Nov 02 2005 - 22:19:14 CST)
- RE: AMBER: Density of Cyclohexane box Ross Walker (Wed Nov 02 2005 - 22:52:32 CST)
- RE: AMBER: EEL and EAMBER values Ross Walker (Wed Nov 02 2005 - 23:02:44 CST)
- Re: AMBER: Density of Cyclohexane box FyD (Thu Nov 03 2005 - 01:47:41 CST)
- Re: AMBER: Metals with Amber Marc Baaden (Thu Nov 03 2005 - 06:33:34 CST)
- Re: AMBER: fedora installation problem caoch_at_cherry.bio.titech.ac.jp (Thu Nov 03 2005 - 07:17:32 CST)
- AMBER: REM difficulties Peter Varnai (Thu Nov 03 2005 - 12:15:01 CST)
- Re: AMBER: REM difficulties Carlos Simmerling (Thu Nov 03 2005 - 12:38:23 CST)
- Re: AMBER: REM difficulties David A. Case (Thu Nov 03 2005 - 12:41:40 CST)
- Re: AMBER: fedora installation problem David A. Case (Thu Nov 03 2005 - 12:50:42 CST)
- Re: AMBER: REM difficulties Peter Varnai (Thu Nov 03 2005 - 13:26:11 CST)
- AMBER: Ask for helpf to get examples for MM-PBSA with AMBER8 Peng Tao (Thu Nov 03 2005 - 13:45:39 CST)
- Re: AMBER: REM difficulties Carlos Simmerling (Thu Nov 03 2005 - 13:41:05 CST)
- Re: AMBER: Ask for helpf to get examples for MM-PBSA with AMBER8 Wei Chen (Thu Nov 03 2005 - 14:07:25 CST)
- Re: AMBER: Antechamber error David A. Case (Thu Nov 03 2005 - 17:06:35 CST)
- Re: AMBER: Improper Torsional Parameters David A. Case (Thu Nov 03 2005 - 18:41:53 CST)
- AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj? Jiapu.Zhang_at_csiro.au (Thu Nov 03 2005 - 19:16:17 CST)
- Re: AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj? Carlos Simmerling (Thu Nov 03 2005 - 19:31:39 CST)
- RE: AMBER: Density of Cyclohexane box chaiann ng (Thu Nov 03 2005 - 21:10:50 CST)
- AMBER: MM_PBSA problem haixiao jin (Fri Nov 04 2005 - 00:43:49 CST)
- Re: AMBER: MM_PBSA problem Magne Olufsen (Fri Nov 04 2005 - 01:50:30 CST)
- Re: AMBER: MM_PBSA problem haixiao jin (Fri Nov 04 2005 - 02:58:14 CST)
- AMBER: Leap task Vlad Cojocaru (Fri Nov 04 2005 - 05:44:39 CST)
- AMBER: just one more try:) xleap, opteron, pgi and segmentation fault. (fwd) Lars Packschies (Fri Nov 04 2005 - 06:09:40 CST)
- Re: AMBER: restart file and crd file Heiko Meyer (Fri Nov 04 2005 - 06:56:41 CST)
- Re: AMBER: restart file and crd file Heiko Meyer (Fri Nov 04 2005 - 09:49:18 CST)
- RE: AMBER: restart file and crd file Ross Walker (Fri Nov 04 2005 - 10:22:41 CST)
- Re: AMBER: MM_PBSA problem Scott Pendley (Fri Nov 04 2005 - 12:18:17 CST)
- AMBER: PMEMD limitation on NFFT Chng Choon-Peng (Fri Nov 04 2005 - 18:38:38 CST)
- Re: AMBER: PMEMD limitation on NFFT Robert Duke (Fri Nov 04 2005 - 21:29:17 CST)
- Re: AMBER: PMEMD limitation on NFFT Chng Choon-Peng (Fri Nov 04 2005 - 21:44:58 CST)
- AMBER: About WHAM program Atsutoshi Okabe (Sat Nov 05 2005 - 22:16:43 CST)
- AMBER: bug report Ye Mei (Sun Nov 06 2005 - 00:21:50 CST)
- AMBER: bugfix 49 Lihua Wang (Sun Nov 06 2005 - 17:05:20 CST)
- AMBER: rluo_at_uci.edu (Sun Nov 06 2005 - 18:42:30 CST)
- AMBER: DNA simulations Andrew Box (Sun Nov 06 2005 - 23:15:15 CST)
- Re: AMBER: MM_PBSA problem haixiao jin (Mon Nov 07 2005 - 02:59:27 CST)
- AMBER: AMBER 8 compilation with lahey F95 ! Pradipta Bandyopadhyay (Mon Nov 07 2005 - 04:13:57 CST)
- AMBER: addition to the last mail (lahey F95) ! Pradipta Bandyopadhyay (Mon Nov 07 2005 - 04:20:06 CST)
- AMBER: XRED II error while initializing tomjas_at_poczta.onet.pl (Mon Nov 07 2005 - 06:17:12 CST)
- Re: AMBER: XRED II error while initializing FyD (Mon Nov 07 2005 - 07:03:05 CST)
- AMBER: tRNA's modified bases in the Amber parameters database Whitney Allen (Mon Nov 07 2005 - 08:52:45 CST)
- AMBER: Making movie from AMBER trajectory Varsha Goyal (Mon Nov 07 2005 - 10:03:01 CST)
- Re: AMBER: tRNA's modified bases in the Amber parameters database David A. Case (Mon Nov 07 2005 - 10:26:41 CST)
- Re: AMBER: Making movie from AMBER trajectory Carlos Simmerling (Mon Nov 07 2005 - 10:28:26 CST)
- Re: AMBER: bug report David A. Case (Mon Nov 07 2005 - 10:36:29 CST)
- AMBER: calculating time correlation functions with ptraj John S Zintsmaster (Mon Nov 07 2005 - 10:39:38 CST)
- RE: AMBER: Making movie from AMBER trajectory Ross Walker (Mon Nov 07 2005 - 10:55:48 CST)
- RE: AMBER: Making movie from AMBER trajectory Varsha Goyal (Mon Nov 07 2005 - 11:25:41 CST)
- Re: AMBER: Making movie from AMBER trajectory Varsha Goyal (Mon Nov 07 2005 - 11:23:50 CST)
- Re: AMBER: Making movie from AMBER trajectory Carlos Simmerling (Mon Nov 07 2005 - 11:45:27 CST)
- Re: AMBER: Making movie from AMBER trajectory Varsha Goyal (Mon Nov 07 2005 - 12:13:09 CST)
- Re: AMBER: Making movie from AMBER trajectory Carlos Simmerling (Mon Nov 07 2005 - 12:28:20 CST)
- Re: AMBER: Making movie from AMBER trajectory Knut Langsetmo (Mon Nov 07 2005 - 12:42:08 CST)
- Re: AMBER: Making movie from AMBER trajectory David Bevan (Mon Nov 07 2005 - 12:50:19 CST)
- Re: AMBER: AMBER 8 compilation with lahey F95 ! Amber admin (Mon Nov 07 2005 - 13:08:03 CST)
- Re: AMBER: Making movie from AMBER trajectory caoch_at_cherry.bio.titech.ac.jp (Mon Nov 07 2005 - 20:09:16 CST)
- Re: AMBER: Making movie from AMBER trajectory Carlos Simmerling (Tue Nov 08 2005 - 06:44:38 CST)
- Re: AMBER: Making movie from AMBER trajectory YoungJin Cho (Tue Nov 08 2005 - 09:00:07 CST)
- Re: AMBER: Making movie from AMBER trajectory Mingfeng Yang (Tue Nov 08 2005 - 10:01:52 CST)
- AMBER: Time Correlation Functions with Amber John S Zintsmaster (Tue Nov 08 2005 - 10:15:45 CST)
- Re: AMBER: Time Correlation Functions with Amber David A. Case (Tue Nov 08 2005 - 10:25:50 CST)
- Re: AMBER: tkbc2 David A. Case (Tue Nov 08 2005 - 10:50:51 CST)
- Re: AMBER: Time Correlation Functions with Amber John S Zintsmaster (Tue Nov 08 2005 - 11:57:26 CST)
- Re: AMBER: Time Correlation Functions with Amber David A. Case (Tue Nov 08 2005 - 12:43:55 CST)
- Re: AMBER: Making movie from AMBER trajectory David E. Konerding (Tue Nov 08 2005 - 12:56:55 CST)
- Re: AMBER: Time Correlation Functions with Amber John S. Zintsmaster (Tue Nov 08 2005 - 13:56:54 CST)
- Re: AMBER: Making movie from AMBER trajectory David E. Konerding (Tue Nov 08 2005 - 17:01:13 CST)
- Re: Re: AMBER: bug report Ye Mei (Tue Nov 08 2005 - 19:30:35 CST)
- Re: AMBER: XRED II error while initializing tomjas (Wed Nov 09 2005 - 00:38:40 CST)
- Re: AMBER: XRED II error while initializing FyD (Wed Nov 09 2005 - 02:06:58 CST)
- Re: AMBER: Making movie from AMBER trajectory using UCSF Chimera David E. Konerding (Wed Nov 09 2005 - 10:21:29 CST)
- AMBER: mm_pbsa Wei Chen (Wed Nov 09 2005 - 13:51:01 CST)
- Re: AMBER: mm_pbsa Ray Luo (Tue Nov 08 2005 - 23:26:52 CST)
- AMBER: Resp install problem Jianzhong Liu (Wed Nov 09 2005 - 17:21:09 CST)
- Re: AMBER: Resp install problem David A. Case (Wed Nov 09 2005 - 17:51:10 CST)
- AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Wed Nov 09 2005 - 18:55:41 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Bill Ross (Wed Nov 09 2005 - 19:40:41 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Ilyas Yildirim (Wed Nov 09 2005 - 21:56:24 CST)
- AMBER: ESP exceeds the MAXESP(20000), nag raj (Thu Nov 10 2005 - 04:36:37 CST)
- AMBER: restart coordinate file s0344557_at_sms.ed.ac.uk (Thu Nov 10 2005 - 07:55:43 CST)
- Re: AMBER: mm_pbsa Cenk Andac (Thu Nov 10 2005 - 08:08:24 CST)
- Re: AMBER: restart coordinate file Carlos Simmerling (Thu Nov 10 2005 - 09:31:18 CST)
- RE: AMBER: ESP exceeds the MAXESP(20000), Junmei Wang (Thu Nov 10 2005 - 09:37:05 CST)
- Re: AMBER: restart coordinate file Bill Ross (Thu Nov 10 2005 - 09:42:53 CST)
- AMBER: Resp install problem, again Jianzhong Liu (Thu Nov 10 2005 - 10:03:24 CST)
- Re: AMBER: restart coordinate file s0344557_at_sms.ed.ac.uk (Thu Nov 10 2005 - 10:11:49 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Thu Nov 10 2005 - 10:40:21 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list David A. Case (Thu Nov 10 2005 - 11:00:12 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Thu Nov 10 2005 - 11:13:33 CST)
- Re: AMBER: Resp install problem, again David A. Case (Thu Nov 10 2005 - 11:39:49 CST)
- Re: AMBER: Resp install problem, again FyD (Thu Nov 10 2005 - 15:49:21 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Ilyas Yildirim (Thu Nov 10 2005 - 20:58:23 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Fri Nov 11 2005 - 10:25:52 CST)
- Re: AMBER: mm_pbsa Wei Chen (Fri Nov 11 2005 - 11:05:40 CST)
- Re: AMBER: mm_pbsa Wei Chen (Fri Nov 11 2005 - 11:21:32 CST)
- Re: AMBER: mm_pbsa Ray Luo (Fri Nov 11 2005 - 17:57:04 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list David A. Case (Fri Nov 11 2005 - 20:58:21 CST)
- CORRENDUM: Re: AMBER: mm_pbsa Cenk Andac (Sat Nov 12 2005 - 02:31:27 CST)
- Re: AMBER: mm_pbsa Wei Chen (Sat Nov 12 2005 - 22:45:14 CST)
- Re: AMBER: mm_pbsa Ray Luo (Sat Nov 12 2005 - 02:09:13 CST)
- AMBER: Error message Sukjoon Yoon (Mon Nov 14 2005 - 02:14:07 CST)
- AMBER: RESP problem RESP laura zan (Mon Nov 14 2005 - 07:54:28 CST)
- Re: AMBER: RESP problem RESP FyD (Mon Nov 14 2005 - 08:59:12 CST)
- RE: AMBER: Error message Ross Walker (Mon Nov 14 2005 - 09:04:04 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list David A. Case (Mon Nov 14 2005 - 11:01:25 CST)
- AMBER: iwork array for nmr Peter Varnai (Mon Nov 14 2005 - 14:20:38 CST)
- Re: AMBER: mm_pbsa Wei Chen (Mon Nov 14 2005 - 16:06:44 CST)
- Re: AMBER: iwork array for nmr Guanglei Cui (Mon Nov 14 2005 - 17:17:31 CST)
- AMBER: Antechamber/Leap, problem with Improper angles Christophe Guilbert (Mon Nov 14 2005 - 20:06:28 CST)
- AMBER: ew_legal.h Yam (Mon Nov 14 2005 - 20:54:03 CST)
- RE: AMBER: ew_legal.h Ross Walker (Mon Nov 14 2005 - 21:22:31 CST)
- RE: AMBER: ew_legal.h Yam (Mon Nov 14 2005 - 22:40:37 CST)
- Re: AMBER: ew_legal.h David A. Case (Mon Nov 14 2005 - 23:41:54 CST)
- Re: AMBER: ew_legal.h Yam (Tue Nov 15 2005 - 01:10:18 CST)
- AMBER: calculating end-end distance C Balasubramanian (Tue Nov 15 2005 - 04:24:21 CST)
- Re: AMBER: ew_legal.h darden (Tue Nov 15 2005 - 07:44:26 CST)
- Re: AMBER: calculating end-end distance David A. Case (Tue Nov 15 2005 - 10:24:01 CST)
- Re: AMBER: Antechamber/Leap, problem with Improper angles David A. Case (Tue Nov 15 2005 - 15:03:11 CST)
- AMBER: recent Chimera MD enhancements Eric Pettersen (Tue Nov 15 2005 - 14:59:16 CST)
- Re: AMBER: recent Chimera MD enhancements Eric Pettersen (Tue Nov 15 2005 - 15:09:21 CST)
- AMBER: pH=1 MD simulation Harianto Tjong (Tue Nov 15 2005 - 16:16:12 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Nitin Bhardwaj (Tue Nov 15 2005 - 18:11:31 CST)
- AMBER: Quantifying DNA perterbation Kara Di Giorgio (Tue Nov 15 2005 - 19:44:03 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list Ilyas Yildirim (Tue Nov 15 2005 - 22:43:09 CST)
- Re: AMBER: Quantifying DNA perterbation Thomas Cheatham (Tue Nov 15 2005 - 23:55:55 CST)
- Re: AMBER: Quantifying DNA perterbation Carlos Simmerling (Wed Nov 16 2005 - 05:08:41 CST)
- AMBER: anal and periodic boundary conditions Rachel Burdge (Wed Nov 16 2005 - 10:18:34 CST)
- Re: AMBER: LoadPdb Error: In file [chirality.c], line 121 Message: Atom C67 is not in the first list David A. Case (Wed Nov 16 2005 - 10:56:44 CST)
- Re: AMBER: anal and periodic boundary conditions Bill Ross (Wed Nov 16 2005 - 11:32:57 CST)
- AMBER: using periodic boundary conditions to create infinite double helix Kenley Barrett (Wed Nov 16 2005 - 11:32:39 CST)
- Re: AMBER: Resp install problem, again Jianzhong Liu (Wed Nov 16 2005 - 12:14:51 CST)
- Re: AMBER: Resp install problem, again David A. Case (Wed Nov 16 2005 - 12:43:13 CST)
- Re: AMBER: Resp install problem, again Jianzhong Liu (Wed Nov 16 2005 - 12:55:06 CST)
- Re: AMBER: Resp install problem, again David A. Case (Wed Nov 16 2005 - 15:53:27 CST)
- Re: AMBER: using periodic boundary conditions to create infinite double helix David A. Case (Wed Nov 16 2005 - 18:10:17 CST)
- Re: AMBER: using periodic boundary conditions to create infinite double helix Bill Ross (Wed Nov 16 2005 - 18:34:53 CST)
- AMBER: ptraj Hbond analysis mathew k varghese (Wed Nov 16 2005 - 22:28:52 CST)
- Re: AMBER: ptraj Hbond analysis Thomas Cheatham (Wed Nov 16 2005 - 23:28:42 CST)
- AMBER: FATAL error with ATP, MG2 residue Michael Mazanetz (Thu Nov 17 2005 - 03:41:12 CST)
- AMBER: need clarification on EWALD BOMB error S.Sundar Raman (Thu Nov 17 2005 - 04:03:22 CST)
- AMBER: FATAL error with ATP and MG2 - fixed Michael Mazanetz (Thu Nov 17 2005 - 06:45:27 CST)
- RE: AMBER: need clarification on EWALD BOMB error Ross Walker (Thu Nov 17 2005 - 10:20:02 CST)
- Re: AMBER: need clarification on EWALD BOMB error Thomas Cheatham (Thu Nov 17 2005 - 11:45:28 CST)
- AMBER: Question about using MM_PBSA gtg549i_at_mail.gatech.edu (Thu Nov 17 2005 - 15:28:19 CST)
- Re: AMBER: Question about using MM_PBSA Wei Chen (Thu Nov 17 2005 - 17:50:05 CST)
- Re: AMBER: need clarification on EWALD BOMB error S.Sundar Raman (Thu Nov 17 2005 - 21:38:43 CST)
- Re: AMBER: ptraj Hbond analysis mathew k varghese (Thu Nov 17 2005 - 22:09:14 CST)
- Re: AMBER: ptraj Hbond analysis Thomas Cheatham (Thu Nov 17 2005 - 23:20:00 CST)
- AMBER: RED and EP from GAMESS Vlad Cojocaru (Fri Nov 18 2005 - 04:12:49 CST)
- AMBER: Polarization & energy analysis GUILBAUD Philippe 153683 (Fri Nov 18 2005 - 04:52:26 CST)
- AMBER: RED and EP from GAMESS FyD (Fri Nov 18 2005 - 06:04:47 CST)
- AMBER: RED&GAMESS: sorry ... my mistake Vlad Cojocaru (Fri Nov 18 2005 - 06:28:31 CST)
- AMBER: MM/PBSA basic questions Peng Tao (Fri Nov 18 2005 - 09:41:26 CST)
- Re: AMBER: Polarization & energy analysis David A. Case (Fri Nov 18 2005 - 11:05:43 CST)
- Re: AMBER: MM/PBSA basic questions Wei Chen (Fri Nov 18 2005 - 11:06:04 CST)
- Re: AMBER: MM/PBSA basic questions David A. Case (Fri Nov 18 2005 - 11:09:05 CST)
- Re: AMBER: MM/PBSA basic questions Peng Tao (Fri Nov 18 2005 - 12:59:39 CST)
- AMBER: Question about PDB format FyD (Sat Nov 19 2005 - 02:11:23 CST)
- Re: AMBER: ptraj Hbond analysis mathew k varghese (Sat Nov 19 2005 - 05:36:12 CST)
- RE: AMBER: Question about PDB format Ross Walker (Sat Nov 19 2005 - 10:55:11 CST)
- Re: AMBER: Question about PDB format David A. Case (Sat Nov 19 2005 - 12:47:45 CST)
- Re: AMBER: Question about PDB format Andy Purkiss (Sat Nov 19 2005 - 13:19:00 CST)
- Re: AMBER: Question about PDB format FyD (Sun Nov 20 2005 - 08:21:22 CST)
- AMBER: RED: extra variable definition Vlad Cojocaru (Sun Nov 20 2005 - 08:48:32 CST)
- Re: AMBER: ptraj Hbond analysis Thomas Cheatham (Sun Nov 20 2005 - 17:13:44 CST)
- AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file) Jiapu.Zhang_at_csiro.au (Sun Nov 20 2005 - 19:35:57 CST)
- AMBER: Will Amber 9 available? Xioling Chuang (Sun Nov 20 2005 - 19:54:55 CST)
- Re: AMBER: Will Amber 9 available? David A. Case (Sun Nov 20 2005 - 20:16:09 CST)
- RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file) Ross Walker (Sun Nov 20 2005 - 23:59:18 CST)
- AMBER: temprature and restraint in constant volumm MD tonglei (Mon Nov 21 2005 - 02:55:40 CST)
- Re: AMBER: Will Amber 9 available? bmbbjm_at_bmb.leeds.ac.uk (Mon Nov 21 2005 - 03:54:45 CST)
- Re: AMBER: Will Amber 9 available? Barbault Florent (Mon Nov 21 2005 - 04:25:04 CST)
- Re: AMBER: temprature and restraint in constant volumm MD Carlos Simmerling (Mon Nov 21 2005 - 07:00:08 CST)
- AMBER: average struct without solvent C Balasubramanian (Mon Nov 21 2005 - 07:51:26 CST)
- Re: AMBER: temprature and restraint in constant volumm MD tonglei (Mon Nov 21 2005 - 07:56:12 CST)
- Re: AMBER: average struct without solvent mcpreto_at_fc.up.pt (Mon Nov 21 2005 - 08:20:39 CST)
- Re: AMBER: RED: extra variable definition FyD (Mon Nov 21 2005 - 08:58:17 CST)
- RE: AMBER: average struct without solvent Ross Walker (Mon Nov 21 2005 - 10:28:23 CST)
- Re: AMBER: Will Amber 9 available? David A. Case (Mon Nov 21 2005 - 10:28:34 CST)
- RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in another monomer? (where both the 2 monomers are in a same pdb file) Ross Walker (Mon Nov 21 2005 - 10:33:44 CST)
- Re: AMBER: average struct without solvent Thomas Cheatham (Mon Nov 21 2005 - 10:34:23 CST)
- AMBER: ANAL problem Sébastien Fiorucci (Mon Nov 21 2005 - 11:18:07 CST)
- RE: AMBER: How to use XLEAP to link one atom in a monomer to another atom in ano Andrew Box (Mon Nov 21 2005 - 16:48:34 CST)
- AMBER: how to extract the residues of first solvation shell from the simulated system after the production? gtg549i_at_mail.gatech.edu (Mon Nov 21 2005 - 17:46:04 CST)
- Re: AMBER: ANAL problem David A. Case (Mon Nov 21 2005 - 18:17:14 CST)
- AMBER: Question about PB bomb zgleo (Mon Nov 21 2005 - 20:11:08 CST)
- Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production? Thomas Cheatham (Mon Nov 21 2005 - 21:50:09 CST)
- AMBER: Question of PB bomb zgleo (Mon Nov 21 2005 - 22:59:54 CST)
- AMBER: sp0 console message after using addAtomTypes Lorna Stimson (Tue Nov 22 2005 - 02:44:19 CST)
- Re: AMBER: RED: extra variable definition Vlad Cojocaru (Tue Nov 22 2005 - 03:08:32 CST)
- Re: AMBER: RED: extra variable definition FyD (Tue Nov 22 2005 - 03:34:33 CST)
- Re: AMBER: RED: extra variable definition FyD (Tue Nov 22 2005 - 03:40:09 CST)
- AMBER: Leap handling crystallographic waters Vlad Cojocaru (Tue Nov 22 2005 - 07:44:57 CST)
- Re: AMBER: Leap handling crystallographic waters Andy Purkiss (Tue Nov 22 2005 - 08:31:07 CST)
- Re: AMBER: RED: extra variable definition Vlad Cojocaru (Tue Nov 22 2005 - 08:26:49 CST)
- AMBER: GRID program used to add ions and solvate AMBER minimized structures Vlad Cojocaru (Tue Nov 22 2005 - 08:53:55 CST)
- Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production? gtg549i_at_mail.gatech.edu (Tue Nov 22 2005 - 09:13:49 CST)
- AMBER: MM_PBSA problem Zhang Bing (Tue Nov 22 2005 - 09:37:32 CST)
- AMBER: Using OPLS atom types Lorna Stimson (Tue Nov 22 2005 - 10:18:48 CST)
- Re: AMBER: sp0 console message after using addAtomTypes David A. Case (Tue Nov 22 2005 - 10:44:30 CST)
- Re: AMBER: MM_PBSA problem David A. Case (Tue Nov 22 2005 - 10:49:59 CST)
- Re: AMBER: sp0 console message after using addAtomTypes Lorna Stimson (Tue Nov 22 2005 - 11:04:07 CST)
- Re: AMBER: Using OPLS atom types Furse, Kristina Elisabet (Tue Nov 22 2005 - 11:10:06 CST)
- Re: AMBER: Leap handling crystallographic waters Furse, Kristina Elisabet (Tue Nov 22 2005 - 11:13:57 CST)
- RE: AMBER: Leap handling crystallographic waters Ross Walker (Tue Nov 22 2005 - 11:46:38 CST)
- Re: AMBER: Using OPLS atom types Bill Ross (Tue Nov 22 2005 - 11:44:16 CST)
- RE: AMBER: Leap handling crystallographic waters Furse, Kristina Elisabet (Tue Nov 22 2005 - 13:18:34 CST)
- AMBER: RE: gaff sugar residue instability hayden (Tue Nov 22 2005 - 13:32:14 CST)
- Re: AMBER: RE: gaff sugar residue instability David A. Case (Tue Nov 22 2005 - 13:40:18 CST)
- Re: AMBER: Leap handling crystallographic waters David A. Case (Tue Nov 22 2005 - 14:08:39 CST)
- RE: AMBER: Leap handling crystallographic waters Ross Walker (Tue Nov 22 2005 - 14:09:27 CST)
- Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production? gtg549i_at_mail.gatech.edu (Tue Nov 22 2005 - 15:28:36 CST)
- AMBER: MM_PBSA problem---Illegal division by zero at ... Zhang Bing (Tue Nov 22 2005 - 18:15:40 CST)
- Re: AMBER: how to extract the residues of first solvation shell from the simulated system after the production? Thomas Cheatham (Tue Nov 22 2005 - 22:35:11 CST)
- AMBER: cluster analysis mathew k varghese (Wed Nov 23 2005 - 01:03:27 CST)
- RE: AMBER: cluster analysis Ross Walker (Wed Nov 23 2005 - 10:15:53 CST)
- AMBER: MM_PBSA_parameter Wei Chen (Wed Nov 23 2005 - 13:48:12 CST)
- Re: AMBER: MM_PBSA_parameter Ray Luo (Wed Nov 23 2005 - 15:48:17 CST)
- Re: AMBER: MM_PBSA_parameter Wei Chen (Wed Nov 23 2005 - 16:51:16 CST)
- Re: AMBER: MM_PBSA_parameter Ray Luo (Wed Nov 23 2005 - 17:23:33 CST)
- AMBER: MM_PBSA question Tiziano Tuccinardi (Thu Nov 24 2005 - 03:01:53 CST)
- AMBER: Parameters for S-substituted nucleic acids E.A.Moore (Thu Nov 24 2005 - 03:29:18 CST)
- AMBER: gaff sugar residue instability hayden (Thu Nov 24 2005 - 08:43:03 CST)
- AMBER: My model loses its motion in MD Lukasz Bielecki (Thu Nov 24 2005 - 09:06:14 CST)
- Re: AMBER: My model loses its motion in MD Thomas Cheatham (Thu Nov 24 2005 - 10:03:07 CST)
- Re: AMBER: My model loses its motion in MD Andreas Svrcek-Seiler (Thu Nov 24 2005 - 10:07:42 CST)
- Re: AMBER: gaff sugar residue instability David A. Case (Thu Nov 24 2005 - 12:28:23 CST)
- Re: AMBER: MM_PBSA question David A. Case (Thu Nov 24 2005 - 12:25:56 CST)
- Re: AMBER: gaff sugar residue instability Bill Ross (Thu Nov 24 2005 - 12:45:16 CST)
- Re: AMBER: gaff sugar residue instability Bill Ross (Thu Nov 24 2005 - 12:48:02 CST)
- AMBER: aloks_at_mbu.iisc.ernet.in (Fri Nov 25 2005 - 06:11:01 CST)
- AMBER: PARM-99 Angelo Pugliese (Fri Nov 25 2005 - 08:03:23 CST)
- Re: AMBER: PARM-99 Carlos Simmerling (Fri Nov 25 2005 - 10:36:45 CST)
- AMBER: reordering atoms after antechamber Vlad Cojocaru (Fri Nov 25 2005 - 11:02:38 CST)
- Re: AMBER: reordering atoms after antechamber David A. Case (Fri Nov 25 2005 - 11:19:28 CST)
- Re: AMBER: PARM-99 Piotr Cieplak (Fri Nov 25 2005 - 19:46:31 CST)
- Re: AMBER: PARM-99 Claire Zerafa (Sat Nov 26 2005 - 03:24:25 CST)
- AMBER: How to wrap a truncated octahedron water box into the primary box? Xioling Chuang (Sat Nov 26 2005 - 04:19:44 CST)
- AMBER: input for mm_pbsa Xioling Chuang (Sun Nov 27 2005 - 00:31:09 CST)
- AMBER: Comparing EELEC from amber and that calculated in the trivial fashion. Pavan G (Sun Nov 27 2005 - 21:14:48 CST)
- AMBER: How to check for water mediated hydrogen bonds? Hannes Loeffler (Sun Nov 27 2005 - 22:52:44 CST)
- Re: AMBER: Comparing EELEC from amber and that calculated in the trivial fashion. David A. Case (Mon Nov 28 2005 - 00:12:55 CST)
- AMBER: Cluster - input files Ananda Rama Krishnan Selvaraj (Mon Nov 28 2005 - 04:37:22 CST)
- Re: AMBER: Comparing EELEC from amber and that calculated in the trivial fashion. Carlos Simmerling (Mon Nov 28 2005 - 06:41:30 CST)
- AMBER: CD spectrum Anthony Cruz (Mon Nov 28 2005 - 11:58:34 CST)
- Re: AMBER: reordering atoms after antechamber FyD (Mon Nov 28 2005 - 09:10:17 CST)
- Re: AMBER: CD spectrum Adrian Roitberg (Mon Nov 28 2005 - 09:10:15 CST)
- AMBER: antechamber charge methods Sagar S. Rane (Mon Nov 28 2005 - 10:20:45 CST)
- Re: AMBER: Cluster - input files David A. Case (Mon Nov 28 2005 - 12:47:12 CST)
- Re: AMBER: Cluster - input files Ananda Rama Krishnan Selvaraj (Mon Nov 28 2005 - 14:39:44 CST)
- Re: AMBER: Cluster - input files David A. Case (Mon Nov 28 2005 - 15:28:14 CST)
- Re: AMBER: Cluster - input files Bill Ross (Mon Nov 28 2005 - 15:51:04 CST)
- AMBER: MM_PBSA stopped at some snapshot Xioling Chuang (Mon Nov 28 2005 - 23:57:54 CST)
- AMBER: AMBER compilation with -DREM Sergey Krishtal (Tue Nov 29 2005 - 06:45:46 CST)
- AMBER: some problems with Antechamber David Mobley (Tue Nov 29 2005 - 10:39:26 CST)
- Re: AMBER: some problems with Antechamber Wei Zhang (Tue Nov 29 2005 - 11:14:53 CST)
- Re: AMBER: AMBER compilation with -DREM David A. Case (Tue Nov 29 2005 - 11:40:18 CST)
- Re: AMBER: MM_PBSA stopped at some snapshot Ray Luo (Sun Nov 27 2005 - 20:37:12 CST)
- AMBER: constant pressure vs. constant volume heating Vlad Cojocaru (Tue Nov 29 2005 - 12:50:39 CST)
- Re: AMBER: some problems with Antechamber David Mobley (Tue Nov 29 2005 - 13:08:00 CST)
- Re: AMBER: constant pressure vs. constant volume heating David Mobley (Tue Nov 29 2005 - 13:20:46 CST)
- RE: AMBER: constant pressure vs. constant volume heating Ross Walker (Tue Nov 29 2005 - 13:20:38 CST)
- Re: AMBER: constant pressure vs. constant volume heating Bill Ross (Tue Nov 29 2005 - 13:51:12 CST)
- AMBER: Solvation in trifluoroethanol Ann Vilan Tran (Tue Nov 29 2005 - 13:57:17 CST)
- AMBER: rdparm bug David Mobley (Tue Nov 29 2005 - 20:40:02 CST)
- AMBER: question convert crd files to pdb files Zhuang (Tue Nov 29 2005 - 22:02:08 CST)
- AMBER: parmchk segfaulting David A. Case (Tue Nov 29 2005 - 22:06:03 CST)
- RE: AMBER: question convert crd files to pdb files Ross Walker (Tue Nov 29 2005 - 22:27:02 CST)
- Re[2]: AMBER: AMBER compilation with -DREM Sergey Krishtal (Wed Nov 30 2005 - 05:38:17 CST)
- AMBER: more data points on the parmchk problem David A. Case (Wed Nov 30 2005 - 09:30:12 CST)
- AMBER: ifort compiling problem Simon Whitehead (Wed Nov 30 2005 - 09:27:48 CST)
- Re: AMBER: ifort compiling problem Andy Purkiss (Wed Nov 30 2005 - 09:39:48 CST)
- AMBER: Targeted MD Whitney Allen (Wed Nov 30 2005 - 10:20:10 CST)
- RE: Re[2]: AMBER: AMBER compilation with -DREM Ross Walker (Wed Nov 30 2005 - 10:26:29 CST)
- AMBER: Fluorine in MM-PBSA (AMBER8) yuann_at_bioinfo.ndhu.edu.tw (Wed Nov 30 2005 - 10:30:36 CST)
- Re: AMBER: more data points on the parmchk problem David Mobley (Wed Nov 30 2005 - 11:04:01 CST)
- AMBER: Residual Dipolar Refinement RadhaKumari Yadav (Wed Nov 30 2005 - 11:16:23 CST)
- Re: AMBER: MM_PBSA stopped at some snapshot Ray Luo (Tue Nov 29 2005 - 20:55:41 CST)
- Re: AMBER: Targeted MD Viktor Hornak (Wed Nov 30 2005 - 11:46:55 CST)
- Re: AMBER: Targeted MD Carlos Simmerling (Wed Nov 30 2005 - 11:51:47 CST)
- AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time Lihong Song (Wed Nov 30 2005 - 12:15:28 CST)
- Re: AMBER: more data points on the parmchk problem John Mongan (Wed Nov 30 2005 - 15:01:35 CST)
- Re: AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time Nelson Fonseca (Wed Nov 30 2005 - 15:33:09 CST)
- AMBER: Any way to get different charge on same type atom Jianzhong Liu (Wed Nov 30 2005 - 17:07:28 CST)
- Re: AMBER: Any way to get different charge on same type atom rpaduri_at_chem.wayne.edu (Wed Nov 30 2005 - 18:37:13 CST)
- Re: AMBER: Fluorine in MM-PBSA (AMBER8) sychen (Wed Nov 30 2005 - 23:43:55 CST)
- Re: AMBER: Mg2+ issues of using MM-PB/GBSA Ray Luo (Wed Nov 30 2005 - 10:46:56 CST)
- Re: AMBER: Questions about MM-PBSA in Amber8 Ray Luo (Wed Nov 30 2005 - 18:39:50 CST)
- Re: AMBER: Mg2+ issues of using MM-PB/GBSA Ray Luo (Wed Nov 30 2005 - 20:04:55 CST)
- Re: AMBER: Mg2+ issues of using MM-PB/GBSA Ray Luo (Wed Nov 30 2005 - 22:31:29 CST)
Last message date: Sat Dec 31 2005 - 12:51:27 CST
Archived on: Sat Dec 31 2005 - 12:51:46 CST
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