Amber Archive Nov 2005: by subject

AMBER:
- aloks.mbu.iisc.ernet.in (Fri Nov 25 2005 - 04:11:01 PST)
- rluo.uci.edu (Sun Nov 06 2005 - 16:42:30 PST)
AMBER: About WHAM program
- Atsutoshi Okabe (Sat Nov 05 2005 - 20:16:43 PST)
- Guanglei Cui (Wed Nov 02 2005 - 05:47:01 PST)
- Atsutoshi Okabe (Tue Nov 01 2005 - 19:29:14 PST)
AMBER: addition to the last mail (lahey F95) !
- Pradipta Bandyopadhyay (Mon Nov 07 2005 - 02:20:06 PST)
AMBER: AMBER 8 compilation with lahey F95 !
- Amber admin (Mon Nov 07 2005 - 11:08:03 PST)
- Pradipta Bandyopadhyay (Mon Nov 07 2005 - 02:13:57 PST)
AMBER: AMBER compilation with -DREM
- Ross Walker (Wed Nov 30 2005 - 08:26:29 PST)
- Sergey Krishtal (Wed Nov 30 2005 - 03:38:17 PST)
- David A. Case (Tue Nov 29 2005 - 09:40:18 PST)
- Sergey Krishtal (Tue Nov 29 2005 - 04:45:46 PST)
AMBER: anal and periodic boundary conditions
- Bill Ross (Wed Nov 16 2005 - 09:32:57 PST)
- Rachel Burdge (Wed Nov 16 2005 - 08:18:34 PST)
AMBER: ANAL problem
- David A. Case (Mon Nov 21 2005 - 16:17:14 PST)
- Sébastien Fiorucci (Mon Nov 21 2005 - 09:18:07 PST)
AMBER: antechamber charge methods
- Sagar S. Rane (Mon Nov 28 2005 - 08:20:45 PST)
AMBER: Antechamber error
- David A. Case (Thu Nov 03 2005 - 15:06:35 PST)
AMBER: Antechamber/Leap, problem with Improper angles
- David A. Case (Tue Nov 15 2005 - 13:03:11 PST)
- Christophe Guilbert (Mon Nov 14 2005 - 18:06:28 PST)
AMBER: Any way to get different charge on same type atom
- rpaduri.chem.wayne.edu (Wed Nov 30 2005 - 16:37:13 PST)
- Jianzhong Liu (Wed Nov 30 2005 - 15:07:28 PST)
AMBER: Ask for helpf to get examples for MM-PBSA with AMBER8
- Wei Chen (Thu Nov 03 2005 - 12:07:25 PST)
- Peng Tao (Thu Nov 03 2005 - 11:45:39 PST)
AMBER: average struct without solvent
- Thomas Cheatham (Mon Nov 21 2005 - 08:34:23 PST)
- Ross Walker (Mon Nov 21 2005 - 08:28:23 PST)
- mcpreto.fc.up.pt (Mon Nov 21 2005 - 06:20:39 PST)
- C Balasubramanian (Mon Nov 21 2005 - 05:51:26 PST)
AMBER: bug report
- Ye Mei (Tue Nov 08 2005 - 17:30:35 PST)
- David A. Case (Mon Nov 07 2005 - 08:36:29 PST)
- Ye Mei (Sat Nov 05 2005 - 22:21:50 PST)
AMBER: bugfix 49
- Lihua Wang (Sun Nov 06 2005 - 15:05:20 PST)
AMBER: calculating end-end distance
- David A. Case (Tue Nov 15 2005 - 08:24:01 PST)
- C Balasubramanian (Tue Nov 15 2005 - 02:24:21 PST)
AMBER: calculating time correlation functions with ptraj
- John S Zintsmaster (Mon Nov 07 2005 - 08:39:38 PST)
AMBER: CD spectrum
- Adrian Roitberg (Mon Nov 28 2005 - 07:10:15 PST)
- Anthony Cruz (Mon Nov 28 2005 - 09:58:34 PST)
AMBER: Cluster - input files
- Bill Ross (Mon Nov 28 2005 - 13:51:04 PST)
- David A. Case (Mon Nov 28 2005 - 13:28:14 PST)
- Ananda Rama Krishnan Selvaraj (Mon Nov 28 2005 - 12:39:44 PST)
- David A. Case (Mon Nov 28 2005 - 10:47:12 PST)
- Ananda Rama Krishnan Selvaraj (Mon Nov 28 2005 - 02:37:22 PST)
AMBER: cluster analysis
- Ross Walker (Wed Nov 23 2005 - 08:15:53 PST)
- mathew k varghese (Tue Nov 22 2005 - 23:03:27 PST)
AMBER: Comparing EELEC from amber and that calculated in the trivial fashion.
- Carlos Simmerling (Mon Nov 28 2005 - 04:41:30 PST)
- David A. Case (Sun Nov 27 2005 - 22:12:55 PST)
- Pavan G (Sun Nov 27 2005 - 19:14:48 PST)
AMBER: constant pressure vs. constant volume heating
- Bill Ross (Tue Nov 29 2005 - 11:51:12 PST)
- Ross Walker (Tue Nov 29 2005 - 11:20:38 PST)
- David Mobley (Tue Nov 29 2005 - 11:20:46 PST)
- Vlad Cojocaru (Tue Nov 29 2005 - 10:50:39 PST)
AMBER: Density of Cyclohexane box
- chaiann ng (Thu Nov 03 2005 - 19:10:50 PST)
- FyD (Wed Nov 02 2005 - 23:47:41 PST)
- Ross Walker (Wed Nov 02 2005 - 20:52:32 PST)
- chaiann ng (Wed Nov 02 2005 - 19:57:49 PST)
AMBER: DNA simulations
- Andrew Box (Sun Nov 06 2005 - 21:15:15 PST)
AMBER: EEL and EAMBER values
- Ross Walker (Wed Nov 02 2005 - 21:02:44 PST)
- Andrew Box (Wed Nov 02 2005 - 20:19:14 PST)
AMBER: Error message
- Ross Walker (Mon Nov 14 2005 - 07:04:04 PST)
- Sukjoon Yoon (Mon Nov 14 2005 - 00:14:07 PST)
AMBER: ESP exceeds the MAXESP(20000),
- Junmei Wang (Thu Nov 10 2005 - 07:37:05 PST)
- nag raj (Thu Nov 10 2005 - 02:36:37 PST)
AMBER: ew_legal.h
- darden (Tue Nov 15 2005 - 05:44:26 PST)
- Yam (Mon Nov 14 2005 - 23:10:18 PST)
- David A. Case (Mon Nov 14 2005 - 21:41:54 PST)
- Yam (Mon Nov 14 2005 - 20:40:37 PST)
- Ross Walker (Mon Nov 14 2005 - 19:22:31 PST)
- Yam (Mon Nov 14 2005 - 18:54:03 PST)
AMBER: FATAL error with ATP and MG2 - fixed
- Michael Mazanetz (Thu Nov 17 2005 - 04:45:27 PST)
AMBER: FATAL error with ATP, MG2 residue
- Michael Mazanetz (Thu Nov 17 2005 - 01:41:12 PST)
AMBER: fedora installation problem
- David A. Case (Thu Nov 03 2005 - 10:50:42 PST)
- caoch.cherry.bio.titech.ac.jp (Thu Nov 03 2005 - 05:17:32 PST)
- Scott Brozell (Wed Nov 02 2005 - 19:35:16 PST)
- Ross Walker (Wed Nov 02 2005 - 08:50:03 PST)
- Simon Whitehead (Wed Nov 02 2005 - 08:11:26 PST)
AMBER: gaff sugar residue instability
- Bill Ross (Thu Nov 24 2005 - 10:48:02 PST)
- Bill Ross (Thu Nov 24 2005 - 10:45:16 PST)
- David A. Case (Thu Nov 24 2005 - 10:28:23 PST)
- hayden (Thu Nov 24 2005 - 06:43:03 PST)
AMBER: GRID program used to add ions and solvate AMBER minimized structures
- Vlad Cojocaru (Tue Nov 22 2005 - 06:53:55 PST)
AMBER: How to check for water mediated hydrogen bonds?
- Hannes Loeffler (Sun Nov 27 2005 - 20:52:44 PST)
AMBER: how to extract the residues of first solvation shell from the simulated system after the production?
- Thomas Cheatham (Tue Nov 22 2005 - 20:35:11 PST)
- gtg549i.mail.gatech.edu (Tue Nov 22 2005 - 13:28:36 PST)
- gtg549i.mail.gatech.edu (Tue Nov 22 2005 - 07:13:49 PST)
- Thomas Cheatham (Mon Nov 21 2005 - 19:50:09 PST)
- gtg549i.mail.gatech.edu (Mon Nov 21 2005 - 15:46:04 PST)
AMBER: How to generate a RMSd-residue number graph using AMBER8 ptraj?
- Carlos Simmerling (Thu Nov 03 2005 - 17:31:39 PST)
- Jiapu.Zhang.csiro.au (Thu Nov 03 2005 - 17:16:17 PST)
AMBER: How to use XLEAP to link one atom in a monomer to another atom in ano
- Andrew Box (Mon Nov 21 2005 - 14:48:34 PST)
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 - 08:33:44 PST)
- Ross Walker (Sun Nov 20 2005 - 21:59:18 PST)
- Jiapu.Zhang.csiro.au (Sun Nov 20 2005 - 17:35:57 PST)
AMBER: How to wrap a truncated octahedron water box into the primary box?
- Xioling Chuang (Sat Nov 26 2005 - 02:19:44 PST)
AMBER: ifort compiling problem
- Andy Purkiss (Wed Nov 30 2005 - 07:39:48 PST)
- Simon Whitehead (Wed Nov 30 2005 - 07:27:48 PST)
AMBER: Improper Torsional Parameters
- David A. Case (Thu Nov 03 2005 - 16:41:53 PST)
- Ross Walker (Wed Nov 02 2005 - 20:06:28 PST)
- Ilyas Yildirim (Wed Nov 02 2005 - 10:00:50 PST)
- David A. Case (Wed Nov 02 2005 - 08:47:34 PST)
AMBER: input for mm_pbsa
- Xioling Chuang (Sat Nov 26 2005 - 22:31:09 PST)
AMBER: iwork array for nmr
- Guanglei Cui (Mon Nov 14 2005 - 15:17:31 PST)
- Peter Varnai (Mon Nov 14 2005 - 12:20:38 PST)
AMBER: just one more try:) xleap, opteron, pgi and segmentation fault. (fwd)
- Lars Packschies (Fri Nov 04 2005 - 04:09:40 PST)
AMBER: Leap error: Could not find atom type: CE
- David A. Case (Wed Nov 02 2005 - 10:57:59 PST)
- Ilyas Yildirim (Wed Nov 02 2005 - 10:31:23 PST)
- Vlad Cojocaru (Wed Nov 02 2005 - 10:08:33 PST)
AMBER: Leap handling crystallographic waters
- David A. Case (Tue Nov 22 2005 - 12:08:39 PST)
- Ross Walker (Tue Nov 22 2005 - 12:09:27 PST)
- Furse, Kristina Elisabet (Tue Nov 22 2005 - 11:18:34 PST)
- Ross Walker (Tue Nov 22 2005 - 09:46:38 PST)
- Furse, Kristina Elisabet (Tue Nov 22 2005 - 09:13:57 PST)
- Andy Purkiss (Tue Nov 22 2005 - 06:31:07 PST)
- Vlad Cojocaru (Tue Nov 22 2005 - 05:44:57 PST)
AMBER: Leap task
- Vlad Cojocaru (Fri Nov 04 2005 - 03:44:39 PST)
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 - 08:56:44 PST)
- Ilyas Yildirim (Tue Nov 15 2005 - 20:43:09 PST)
- Nitin Bhardwaj (Tue Nov 15 2005 - 16:11:31 PST)
- David A. Case (Mon Nov 14 2005 - 09:01:25 PST)
- David A. Case (Fri Nov 11 2005 - 18:58:21 PST)
- Nitin Bhardwaj (Fri Nov 11 2005 - 08:25:52 PST)
- Ilyas Yildirim (Thu Nov 10 2005 - 18:58:23 PST)
- Nitin Bhardwaj (Thu Nov 10 2005 - 09:13:33 PST)
- David A. Case (Thu Nov 10 2005 - 09:00:12 PST)
- Nitin Bhardwaj (Thu Nov 10 2005 - 08:40:21 PST)
- Ilyas Yildirim (Wed Nov 09 2005 - 19:56:24 PST)
- Bill Ross (Wed Nov 09 2005 - 17:40:41 PST)
- Nitin Bhardwaj (Wed Nov 09 2005 - 16:55:41 PST)
AMBER: Making movie from AMBER trajectory
- David E. Konerding (Tue Nov 08 2005 - 15:01:13 PST)
- David E. Konerding (Tue Nov 08 2005 - 10:56:55 PST)
- Mingfeng Yang (Tue Nov 08 2005 - 08:01:52 PST)
- YoungJin Cho (Tue Nov 08 2005 - 07:00:07 PST)
- Carlos Simmerling (Tue Nov 08 2005 - 04:44:38 PST)
- caoch.cherry.bio.titech.ac.jp (Mon Nov 07 2005 - 18:09:16 PST)
- David Bevan (Mon Nov 07 2005 - 10:50:19 PST)
- Knut Langsetmo (Mon Nov 07 2005 - 10:42:08 PST)
- Carlos Simmerling (Mon Nov 07 2005 - 10:28:20 PST)
- Varsha Goyal (Mon Nov 07 2005 - 10:13:09 PST)
- Carlos Simmerling (Mon Nov 07 2005 - 09:45:27 PST)
- Varsha Goyal (Mon Nov 07 2005 - 09:23:50 PST)
- Varsha Goyal (Mon Nov 07 2005 - 09:25:41 PST)
- Ross Walker (Mon Nov 07 2005 - 08:55:48 PST)
- Carlos Simmerling (Mon Nov 07 2005 - 08:28:26 PST)
- Varsha Goyal (Mon Nov 07 2005 - 08:03:01 PST)
AMBER: Making movie from AMBER trajectory using UCSF Chimera
- David E. Konerding (Wed Nov 09 2005 - 08:21:29 PST)
AMBER: Metals with Amber
- Marc Baaden (Thu Nov 03 2005 - 04:33:34 PST)
AMBER: Mg2+ issues of using MM-PB/GBSA
- Ray Luo (Wed Nov 30 2005 - 20:31:29 PST)
- Ray Luo (Wed Nov 30 2005 - 18:04:55 PST)
- Ray Luo (Wed Nov 30 2005 - 08:46:56 PST)
AMBER: MM-PBSA: plot the "Ggas+Gsol" vs time
- Nelson Fonseca (Wed Nov 30 2005 - 13:33:09 PST)
- Lihong Song (Wed Nov 30 2005 - 10:15:28 PST)
AMBER: MM/PBSA basic questions
- Peng Tao (Fri Nov 18 2005 - 10:59:39 PST)
- David A. Case (Fri Nov 18 2005 - 09:09:05 PST)
- Wei Chen (Fri Nov 18 2005 - 09:06:04 PST)
- Peng Tao (Fri Nov 18 2005 - 07:41:26 PST)
AMBER: mm_pbsa
- Wei Chen (Mon Nov 14 2005 - 14:06:44 PST)
- Ray Luo (Sat Nov 12 2005 - 00:09:13 PST)
- Wei Chen (Sat Nov 12 2005 - 20:45:14 PST)
- Cenk Andac (Sat Nov 12 2005 - 00:31:27 PST)
- Ray Luo (Fri Nov 11 2005 - 15:57:04 PST)
- Wei Chen (Fri Nov 11 2005 - 09:21:32 PST)
- Wei Chen (Fri Nov 11 2005 - 09:05:40 PST)
- Cenk Andac (Thu Nov 10 2005 - 06:08:24 PST)
- Ray Luo (Tue Nov 08 2005 - 21:26:52 PST)
- Wei Chen (Wed Nov 09 2005 - 11:51:01 PST)
AMBER: MM_PBSA problem
- David A. Case (Tue Nov 22 2005 - 08:49:59 PST)
- Zhang Bing (Tue Nov 22 2005 - 07:37:32 PST)
- haixiao jin (Mon Nov 07 2005 - 00:59:27 PST)
- Scott Pendley (Fri Nov 04 2005 - 10:18:17 PST)
- haixiao jin (Fri Nov 04 2005 - 00:58:14 PST)
- Magne Olufsen (Thu Nov 03 2005 - 23:50:30 PST)
- haixiao jin (Thu Nov 03 2005 - 22:43:49 PST)
- Scott Pendley (Tue Nov 01 2005 - 14:36:48 PST)
- Cenk Andac (Tue Nov 01 2005 - 00:15:23 PST)
- emilia wu (Mon Oct 31 2005 - 18:53:51 PST)
AMBER: MM_PBSA problem---Illegal division by zero at ...
- Zhang Bing (Tue Nov 22 2005 - 16:15:40 PST)
AMBER: MM_PBSA question
- David A. Case (Thu Nov 24 2005 - 10:25:56 PST)
- Tiziano Tuccinardi (Thu Nov 24 2005 - 01:01:53 PST)
AMBER: MM_PBSA stopped at some snapshot
- Ray Luo (Tue Nov 29 2005 - 18:55:41 PST)
- Ray Luo (Sun Nov 27 2005 - 18:37:12 PST)
- Xioling Chuang (Mon Nov 28 2005 - 21:57:54 PST)
AMBER: MM_PBSA_parameter
- Ray Luo (Wed Nov 23 2005 - 15:23:33 PST)
- Wei Chen (Wed Nov 23 2005 - 14:51:16 PST)
- Ray Luo (Wed Nov 23 2005 - 13:48:17 PST)
- Wei Chen (Wed Nov 23 2005 - 11:48:12 PST)
AMBER: more data points on the parmchk problem
- John Mongan (Wed Nov 30 2005 - 13:01:35 PST)
- David Mobley (Wed Nov 30 2005 - 09:04:01 PST)
- David A. Case (Wed Nov 30 2005 - 07:30:12 PST)
AMBER: My model loses its motion in MD
- Andreas Svrcek-Seiler (Thu Nov 24 2005 - 08:07:42 PST)
- Thomas Cheatham (Thu Nov 24 2005 - 08:03:07 PST)
- Lukasz Bielecki (Thu Nov 24 2005 - 07:06:14 PST)
AMBER: need clarification on EWALD BOMB error
- S.Sundar Raman (Thu Nov 17 2005 - 19:38:43 PST)
- Thomas Cheatham (Thu Nov 17 2005 - 09:45:28 PST)
- Ross Walker (Thu Nov 17 2005 - 08:20:02 PST)
- S.Sundar Raman (Thu Nov 17 2005 - 02:03:22 PST)
AMBER: Parameters for S-substituted nucleic acids
- E.A.Moore (Thu Nov 24 2005 - 01:29:18 PST)
AMBER: PARM-99
- Claire Zerafa (Sat Nov 26 2005 - 01:24:25 PST)
- Piotr Cieplak (Fri Nov 25 2005 - 17:46:31 PST)
- Carlos Simmerling (Fri Nov 25 2005 - 08:36:45 PST)
- Angelo Pugliese (Fri Nov 25 2005 - 06:03:23 PST)
AMBER: parmchk segfaulting
- David A. Case (Tue Nov 29 2005 - 20:06:03 PST)
AMBER: pH=1 MD simulation
- Harianto Tjong (Tue Nov 15 2005 - 14:16:12 PST)
AMBER: PMEMD limitation on NFFT
- Chng Choon-Peng (Fri Nov 04 2005 - 19:44:58 PST)
- Robert Duke (Fri Nov 04 2005 - 19:29:17 PST)
- Chng Choon-Peng (Fri Nov 04 2005 - 16:38:38 PST)
AMBER: Polarization & energy analysis
- David A. Case (Fri Nov 18 2005 - 09:05:43 PST)
- GUILBAUD Philippe 153683 (Fri Nov 18 2005 - 02:52:26 PST)
AMBER: ptraj distance mask
- Thomas E. Cheatham, III (Wed Nov 02 2005 - 09:32:09 PST)
- Peter Gannett (Wed Nov 02 2005 - 09:04:48 PST)
AMBER: ptraj Hbond analysis
- Thomas Cheatham (Sun Nov 20 2005 - 15:13:44 PST)
- mathew k varghese (Sat Nov 19 2005 - 03:36:12 PST)
- Thomas Cheatham (Thu Nov 17 2005 - 21:20:00 PST)
- mathew k varghese (Thu Nov 17 2005 - 20:09:14 PST)
- Thomas Cheatham (Wed Nov 16 2005 - 21:28:42 PST)
- mathew k varghese (Wed Nov 16 2005 - 20:28:52 PST)
AMBER: Quantifying DNA perterbation
- Carlos Simmerling (Wed Nov 16 2005 - 03:08:41 PST)
- Thomas Cheatham (Tue Nov 15 2005 - 21:55:55 PST)
- Kara Di Giorgio (Tue Nov 15 2005 - 17:44:03 PST)
AMBER: Question about PB bomb
- zgleo (Mon Nov 21 2005 - 18:11:08 PST)
AMBER: Question about PDB format
- FyD (Sun Nov 20 2005 - 06:21:22 PST)
- Andy Purkiss (Sat Nov 19 2005 - 11:19:00 PST)
- David A. Case (Sat Nov 19 2005 - 10:47:45 PST)
- Ross Walker (Sat Nov 19 2005 - 08:55:11 PST)
- FyD (Sat Nov 19 2005 - 00:11:23 PST)
AMBER: Question about using MM_PBSA
- Wei Chen (Thu Nov 17 2005 - 15:50:05 PST)
- gtg549i.mail.gatech.edu (Thu Nov 17 2005 - 13:28:19 PST)
AMBER: question convert crd files to pdb files
- Ross Walker (Tue Nov 29 2005 - 20:27:02 PST)
- Zhuang (Tue Nov 29 2005 - 20:02:08 PST)
AMBER: Question of PB bomb
- zgleo (Mon Nov 21 2005 - 20:59:54 PST)
AMBER: Questions about MM-PBSA in Amber8
- Ray Luo (Wed Nov 30 2005 - 16:39:50 PST)
AMBER: rdparm bug
- David Mobley (Tue Nov 29 2005 - 18:40:02 PST)
AMBER: recent Chimera MD enhancements
- Eric Pettersen (Tue Nov 15 2005 - 13:09:21 PST)
- Eric Pettersen (Tue Nov 15 2005 - 12:59:16 PST)
AMBER: RED and EP from GAMESS
- FyD (Fri Nov 18 2005 - 04:04:47 PST)
- Vlad Cojocaru (Fri Nov 18 2005 - 02:12:49 PST)
AMBER: RED&GAMESS: sorry ... my mistake
- Vlad Cojocaru (Fri Nov 18 2005 - 04:28:31 PST)
AMBER: RED: extra variable definition
- Vlad Cojocaru (Tue Nov 22 2005 - 06:26:49 PST)
- FyD (Tue Nov 22 2005 - 01:40:09 PST)
- FyD (Tue Nov 22 2005 - 01:34:33 PST)
- Vlad Cojocaru (Tue Nov 22 2005 - 01:08:32 PST)
- FyD (Mon Nov 21 2005 - 06:58:17 PST)
- Vlad Cojocaru (Sun Nov 20 2005 - 06:48:32 PST)
AMBER: REM difficulties
- Carlos Simmerling (Thu Nov 03 2005 - 11:41:05 PST)
- Peter Varnai (Thu Nov 03 2005 - 11:26:11 PST)
- David A. Case (Thu Nov 03 2005 - 10:41:40 PST)
- Carlos Simmerling (Thu Nov 03 2005 - 10:38:23 PST)
- Peter Varnai (Thu Nov 03 2005 - 10:15:01 PST)
AMBER: reordering atoms after antechamber
- FyD (Mon Nov 28 2005 - 07:10:17 PST)
- David A. Case (Fri Nov 25 2005 - 09:19:28 PST)
- Vlad Cojocaru (Fri Nov 25 2005 - 09:02:38 PST)
AMBER: Residual Dipolar Refinement
- RadhaKumari Yadav (Wed Nov 30 2005 - 09:16:23 PST)
AMBER: Resp install problem
- David A. Case (Wed Nov 09 2005 - 15:51:10 PST)
- Jianzhong Liu (Wed Nov 09 2005 - 15:21:09 PST)
AMBER: Resp install problem, again
- David A. Case (Wed Nov 16 2005 - 13:53:27 PST)
- Jianzhong Liu (Wed Nov 16 2005 - 10:55:06 PST)
- David A. Case (Wed Nov 16 2005 - 10:43:13 PST)
- Jianzhong Liu (Wed Nov 16 2005 - 10:14:51 PST)
- FyD (Thu Nov 10 2005 - 13:49:21 PST)
- David A. Case (Thu Nov 10 2005 - 09:39:49 PST)
- Jianzhong Liu (Thu Nov 10 2005 - 08:03:24 PST)
AMBER: RESP problem RESP
- FyD (Mon Nov 14 2005 - 06:59:12 PST)
- laura zan (Mon Nov 14 2005 - 05:54:28 PST)
AMBER: restart coordinate file
- s0344557.sms.ed.ac.uk (Thu Nov 10 2005 - 08:11:49 PST)
- Bill Ross (Thu Nov 10 2005 - 07:42:53 PST)
- Carlos Simmerling (Thu Nov 10 2005 - 07:31:18 PST)
- s0344557.sms.ed.ac.uk (Thu Nov 10 2005 - 05:55:43 PST)
AMBER: restart file and crd file
- Ross Walker (Fri Nov 04 2005 - 08:22:41 PST)
- Heiko Meyer (Fri Nov 04 2005 - 07:49:18 PST)
- Heiko Meyer (Fri Nov 04 2005 - 04:56:41 PST)
AMBER: rounding in xleap when using saveoff command...
- Ilyas Yildirim (Wed Nov 02 2005 - 17:15:36 PST)
- Wei Zhang (Wed Nov 02 2005 - 11:34:10 PST)
- David A. Case (Wed Nov 02 2005 - 08:50:41 PST)
AMBER: Solvation in trifluoroethanol
- Ann Vilan Tran (Tue Nov 29 2005 - 11:57:17 PST)
AMBER: some problems with Antechamber
- David Mobley (Tue Nov 29 2005 - 11:08:00 PST)
- Wei Zhang (Tue Nov 29 2005 - 09:14:53 PST)
- David Mobley (Tue Nov 29 2005 - 08:39:26 PST)
AMBER: sp0 console message after using addAtomTypes
- Lorna Stimson (Tue Nov 22 2005 - 09:04:07 PST)
- David A. Case (Tue Nov 22 2005 - 08:44:30 PST)
- Lorna Stimson (Tue Nov 22 2005 - 00:44:19 PST)
AMBER: Targeted MD
- Carlos Simmerling (Wed Nov 30 2005 - 09:51:47 PST)
- Viktor Hornak (Wed Nov 30 2005 - 09:46:55 PST)
- Whitney Allen (Wed Nov 30 2005 - 08:20:10 PST)
AMBER: temprature and restraint in constant volumm MD
- tonglei (Mon Nov 21 2005 - 05:56:12 PST)
- Carlos Simmerling (Mon Nov 21 2005 - 05:00:08 PST)
- tonglei (Mon Nov 21 2005 - 00:55:40 PST)
AMBER: Time Correlation Functions with Amber
- John S. Zintsmaster (Tue Nov 08 2005 - 11:56:54 PST)
- David A. Case (Tue Nov 08 2005 - 10:43:55 PST)
- John S Zintsmaster (Tue Nov 08 2005 - 09:57:26 PST)
- David A. Case (Tue Nov 08 2005 - 08:25:50 PST)
- John S Zintsmaster (Tue Nov 08 2005 - 08:15:45 PST)
AMBER: tkbc2
- David A. Case (Tue Nov 08 2005 - 08:50:51 PST)
AMBER: tRNA's modified bases in the Amber parameters database
- David A. Case (Mon Nov 07 2005 - 08:26:41 PST)
- Whitney Allen (Mon Nov 07 2005 - 06:52:45 PST)
AMBER: Using OPLS atom types
- Bill Ross (Tue Nov 22 2005 - 09:44:16 PST)
- Furse, Kristina Elisabet (Tue Nov 22 2005 - 09:10:06 PST)
- Lorna Stimson (Tue Nov 22 2005 - 08:18:48 PST)
AMBER: using periodic boundary conditions to create infinite double helix
- Bill Ross (Wed Nov 16 2005 - 16:34:53 PST)
- David A. Case (Wed Nov 16 2005 - 16:10:17 PST)
- Kenley Barrett (Wed Nov 16 2005 - 09:32:39 PST)
AMBER: Will Amber 9 available?
- David A. Case (Mon Nov 21 2005 - 08:28:34 PST)
- Barbault Florent (Mon Nov 21 2005 - 02:25:04 PST)
- bmbbjm.bmb.leeds.ac.uk (Mon Nov 21 2005 - 01:54:45 PST)
- David A. Case (Sun Nov 20 2005 - 18:16:09 PST)
- Xioling Chuang (Sun Nov 20 2005 - 17:54:55 PST)
AMBER: XRED II error while initializing
- FyD (Wed Nov 09 2005 - 00:06:58 PST)
- tomjas (Tue Nov 08 2005 - 22:38:40 PST)
- FyD (Mon Nov 07 2005 - 05:03:05 PST)
- tomjas.poczta.onet.pl (Mon Nov 07 2005 - 04:17:12 PST)
gaff sugar residue instability
- David A. Case (Tue Nov 22 2005 - 11:40:18 PST)
- hayden (Tue Nov 22 2005 - 11:32:14 PST)

Amber Archive Nov 2005 by subject