Amber Archive Jun 2003: by author

Alfonso Garcia Sosa
- Re: how to restrain water (Mon Jun 23 2003 - 08:42:42 PDT)
- Re: how to restrain water (Mon Jun 23 2003 - 08:14:02 PDT)
Andreas Svrcek-Seiler
- Re: helix movement (Tue Jun 10 2003 - 05:07:49 PDT)
- Re: unit of output velocity (Fri Jun 06 2003 - 09:49:32 PDT)
Andrew Petersen
- debug sander (Wed Jun 18 2003 - 23:40:04 PDT)
Balvinder Singh
- Re: Running MD (Mon Jun 23 2003 - 11:02:33 PDT)
- Running MD (Mon Jun 23 2003 - 10:33:56 PDT)
Bimo Ario Tejo
- bugfix ptraj-6.4 (need to confirm) (Thu Jun 12 2003 - 05:51:27 PDT)
- calculated b-factor higher than x-ray (Wed Jun 11 2003 - 11:23:03 PDT)
- Re: helix movement (Tue Jun 10 2003 - 05:18:14 PDT)
- Re: helix movement (Tue Jun 10 2003 - 04:19:05 PDT)
- helix movement (Tue Jun 10 2003 - 03:10:29 PDT)
caldwell.heimdal.compchem.ucsf.edu
- Nancy's leaving (Tue Jun 03 2003 - 19:42:00 PDT)
- Re: Need help recompiling (Mon Jun 02 2003 - 08:14:06 PDT)
Carlos Simmerling
- Re: unifying trajectory files (Wed Jun 25 2003 - 09:05:57 PDT)
- Re: Running MD (Mon Jun 23 2003 - 05:40:24 PDT)
- Re: Running MD (Mon Jun 23 2003 - 05:10:23 PDT)
- Re: AMBER7 on linux cluster (Fri Jun 20 2003 - 07:55:10 PDT)
- Re: mpirun problem: no rsh (Wed Jun 18 2003 - 10:56:48 PDT)
- Re: Problem with LES topology file (Tue Jun 17 2003 - 15:42:07 PDT)
- Re: AMBER7 on linux cluster (Tue Jun 17 2003 - 09:54:28 PDT)
- Re: saving trajectory of solute only (Mon Jun 09 2003 - 09:06:01 PDT)
chernhoe
- delphi on linux (Wed Jun 11 2003 - 02:03:13 PDT)
- mm_pbsa error message (Sun Jun 08 2003 - 02:48:02 PDT)
chris switzer
- parallel sander jobs die with error: "MPI_COMM_RANK : Null communicator" (Sat Jun 14 2003 - 19:00:51 PDT)
Courtney Stanton
- Problem with LES topology file (Tue Jun 17 2003 - 15:28:10 PDT)
CUI, Guanglei
- Re: Problem with XLEaP in Mandrake 9.1 (Sun Jun 22 2003 - 10:44:51 PDT)
D Fernandez
- AMBER parameters (Mon Jun 23 2003 - 22:26:09 PDT)
Daquan Gao
- CCL: Amber free energy equation (Tue Jun 17 2003 - 09:33:39 PDT)
darden
- Re: PME (Wed Jun 11 2003 - 08:21:25 PDT)
- Re: PME (Wed Jun 11 2003 - 07:33:12 PDT)
Darren Davies
- A question of time (Tue Jun 10 2003 - 08:52:31 PDT)
Dave S Walker
- Re: install problem (Thu Jun 12 2003 - 17:03:21 PDT)
- install problem (Thu Jun 12 2003 - 14:18:02 PDT)
David
- AMBER question (Fri Jun 20 2003 - 09:31:55 PDT)
David A. Case
- Re: pyroglutamic acid (PCA) (Thu Jun 26 2003 - 10:34:25 PDT)
- Re: Amber6 on RH 9 (Thu Jun 26 2003 - 10:31:56 PDT)
- Re: Sander problem (Wed Jun 25 2003 - 15:30:21 PDT)
- Re: Antechamber (Wed Jun 25 2003 - 10:31:31 PDT)
- Re: AMBER parameters (Tue Jun 24 2003 - 08:25:35 PDT)
- Re: AMBER question (Fri Jun 20 2003 - 17:59:04 PDT)
- Re: NOESY restraints (Fri Jun 20 2003 - 17:49:00 PDT)
- Re: constraint + restraint (Thu Jun 19 2003 - 08:39:44 PDT)
- Re: Error in minimization using sander_classic of AMBER6 (Tue Jun 17 2003 - 13:53:49 PDT)
- new tutorial available: introduction to ptraj (Tue Jun 17 2003 - 11:03:54 PDT)
- Re: LEAP compiling problem (Tue Jun 17 2003 - 09:09:26 PDT)
- Re: LEAP compiling problem (Tue Jun 17 2003 - 08:51:21 PDT)
- Re: can you give me more advice about: vlimit exceeded when sander calculate free energies using TI (Mon Jun 16 2003 - 08:12:05 PDT)
- Re: Problem with a library (Fri Jun 13 2003 - 14:07:37 PDT)
- Re: glycam force field with amber (Fri Jun 13 2003 - 09:42:31 PDT)
- Re: install problem (Thu Jun 12 2003 - 15:26:56 PDT)
- Re: vlimit exceeded when sander calculate free energies using TI (Wed Jun 11 2003 - 08:21:31 PDT)
- Re: quasih problem (Wed Jun 11 2003 - 08:12:54 PDT)
- New location for the Amber web site (Tue Jun 10 2003 - 23:04:54 PDT)
- Re: Minimization does not converge. (Tue Jun 10 2003 - 22:52:29 PDT)
- Re: A question of time (Tue Jun 10 2003 - 09:34:19 PDT)
- Re: Superimposed trajectory (Tue Jun 10 2003 - 07:53:42 PDT)
- Re: saving trajectory of solute only (Mon Jun 09 2003 - 09:24:03 PDT)
- Re: VdW in FEP (Mon Jun 09 2003 - 08:05:58 PDT)
- Re: constant volume (Fri Jun 06 2003 - 15:48:16 PDT)
- Re: keeping pdb residues numbers ? (Wed Jun 04 2003 - 10:40:08 PDT)
- Re: belly vs. position restraints (Wed Jun 04 2003 - 08:57:02 PDT)
- Re: angle violation in SANDER simulation (Wed Jun 04 2003 - 08:17:32 PDT)
- Re: solventbox at constant pressure (Wed Jun 04 2003 - 08:13:37 PDT)
- Re: pol_h (Tue Jun 03 2003 - 09:26:41 PDT)
- Re: run sander? (Mon Jun 02 2003 - 10:52:00 PDT)
- Re: antechamber read gaussian file (Sun Jun 01 2003 - 17:18:54 PDT)
- Re: IR6 and makeDIST-RST (Sun Jun 01 2003 - 17:14:04 PDT)
- Re: information (Sun Jun 01 2003 - 17:14:29 PDT)
dicksmit.umich.edu
- Error in minimization using sander_classic of AMBER6 (Tue Jun 17 2003 - 13:20:03 PDT)
ENikitina
- VdW in FEP (Wed Jun 18 2003 - 07:02:14 PDT)
- Re: VdW in FEP (Tue Jun 10 2003 - 04:56:23 PDT)
- VdW in FEP (Mon Jun 09 2003 - 00:06:49 PDT)
Filip Razga
- Superimposed trajectory (Tue Jun 10 2003 - 06:59:06 PDT)
Frederico.Miranda.ibmb.uib.no
- Problem with Snader (Sat Jun 28 2003 - 06:17:12 PDT)
- Memory problem (Tue Jun 24 2003 - 17:17:40 PDT)
- Problem with a library (Fri Jun 13 2003 - 13:27:36 PDT)
- PROBLEM WITH LIBRARY (Thu Jun 05 2003 - 13:06:27 PDT)
fsdjklfdsf.ddhdf.com
- HGH, IGF-1 Supply (Sun Jun 01 2003 - 23:20:52 PDT)
- HGH, IGF-1 Supply (Sun Jun 01 2003 - 18:09:08 PDT)
FUNG WAI KEUNG
- Question about defining force field (followup) (Tue Jun 24 2003 - 21:14:10 PDT)
- Question about defining force field (Fri Jun 20 2003 - 20:12:59 PDT)
FyD
- Re: GAFF in GUI MD apps (Tue Jun 24 2003 - 22:50:58 PDT)
Giulio Rastelli
- protonate (Sun Jun 29 2003 - 14:31:20 PDT)
- pol_h (Tue Jun 03 2003 - 09:34:23 PDT)
Guanglei Cui
- Re: Problem with Snader (Sat Jun 28 2003 - 07:53:59 PDT)
- Re: any tool to know what functions are being called while sander is being run?? (Wed Jun 11 2003 - 06:53:45 PDT)
- Re: May I get you help from new user of amber? (Mon Jun 09 2003 - 07:41:07 PDT)
GUILBAUD Philippe 153683
- keeping pdb residues numbers ? (Wed Jun 04 2003 - 05:48:50 PDT)
Holger Gohlke
- Re: Another mm_pbsa problem (Tue Jun 24 2003 - 10:08:25 PDT)
- Re: mm_pbsa problem (Fri Jun 20 2003 - 18:47:21 PDT)
- Re: jarrod (Thu Jun 12 2003 - 08:18:43 PDT)
- Re: mm_pbsa error message (Sun Jun 08 2003 - 09:19:24 PDT)
- Re: unit of output velocity (Fri Jun 06 2003 - 08:46:38 PDT)
Ioana Cozmuta
- Re: unifying trajectory files (Wed Jun 25 2003 - 12:58:39 PDT)
- ptraj question (Tue Jun 24 2003 - 00:59:48 PDT)
- perl question (Fri Jun 20 2003 - 15:28:57 PDT)
Jarrod Wesley Barnes
- jarrod (Thu Jun 12 2003 - 07:51:33 PDT)
Javier Cuervo
- pyroglutamic acid (PCA) (Wed Jun 25 2003 - 18:16:44 PDT)
- Minimization does not converge. (Tue Jun 10 2003 - 20:14:43 PDT)
Jianhui Wu
- T in MD vs. T in wet experiments (Tue Jun 24 2003 - 18:34:31 PDT)
John Bushnell
- Re: Problem with XLEaP in Mandrake 9.1 (Sun Jun 22 2003 - 18:04:43 PDT)
Jose Ramon Blas
- constraint + restraint (Thu Jun 19 2003 - 16:58:41 PDT)
Joseph Maxwell
- Amber Installation on Octane (Sun Jun 08 2003 - 14:55:55 PDT)
Karthikeyan Pasupathy
- Problem with XLEaP in Mandrake 9.1 (Sun Jun 22 2003 - 10:08:23 PDT)
Layi Adekoya
- viewing movie with VMD (Mon Jun 23 2003 - 01:00:51 PDT)
Lepsa
- Re: viewing movie with VMD (Mon Jun 23 2003 - 01:09:29 PDT)
M. L. Dodson
- Re: helix axis for A-RNA (Tue Jun 10 2003 - 06:36:44 PDT)
Mao Xiang
- how to restrain water (Mon Jun 23 2003 - 07:59:23 PDT)
- help on solvatecap (Wed Jun 18 2003 - 18:47:36 PDT)
Margaret Shun Cheung
- web link for PLEP is not available. (Tue Jun 17 2003 - 13:28:40 PDT)
Matheus Froeyen
- Re: jarrod (Fri Jun 13 2003 - 00:36:14 PDT)
MF Yang
- GB model (Tue Jun 10 2003 - 12:54:33 PDT)
Michael Crowley
- Re: mpirun problem: no rsh (Wed Jun 18 2003 - 12:04:52 PDT)
- Re: run sander? (Tue Jun 03 2003 - 05:42:53 PDT)
Natasja Brooijmans
- Re: unifying trajectory files (Wed Jun 25 2003 - 09:25:41 PDT)
- Re: electrostatic interaction energ. /delphi (Tue Jun 24 2003 - 12:45:22 PDT)
- Re: Sander error (Tue Jun 17 2003 - 11:44:53 PDT)
Nick Polfer
- Flag for antechamber (Wed Jun 18 2003 - 01:59:01 PDT)
Obdulia Rabal
- MGB RADII PARAMETRIZATION (Tue Jun 03 2003 - 04:08:15 PDT)
- EGB problem in MMPBSA (Mon Jun 02 2003 - 04:11:45 PDT)
Pete Koladich
- RE: Software Sales (Tue Jun 24 2003 - 13:41:53 PDT)
Peter Anderson
- unifying trajectory files (Wed Jun 25 2003 - 08:57:42 PDT)
- Another mm_pbsa problem (Tue Jun 24 2003 - 09:47:58 PDT)
- mm_pbsa problem (Fri Jun 20 2003 - 15:31:17 PDT)
- mpirun problem: no rsh (Wed Jun 18 2003 - 10:50:26 PDT)
- saving trajectory of solute only (Mon Jun 09 2003 - 09:01:53 PDT)
- belly vs. position restraints (Wed Jun 04 2003 - 07:17:05 PDT)
- Need help recompiling (Mon Jun 02 2003 - 07:23:11 PDT)
Petrodler.aol.com
- solventbox at constant pressure (Wed Jun 04 2003 - 00:19:05 PDT)
PSR04996.mailstudenti.unimi.it
- glycam force field with amber (Fri Jun 13 2003 - 04:28:07 PDT)
quch quch
- Re: run sander? (Mon Jun 02 2003 - 11:52:22 PDT)
- run sander? (Mon Jun 02 2003 - 09:22:35 PDT)
Radiation Aware
- Medical Imaging Risk & Reward -- Medical Imaging Consultant (Mon Jun 16 2003 - 20:17:03 PDT)
Robert Duke
- Mg++ polarizability (Tue Jun 03 2003 - 04:39:25 PDT)
Ross Walker
- RE: viewing movie with VMD (Mon Jun 23 2003 - 15:36:30 PDT)
- RE: Problem with XLEaP in Mandrake 9.1 (Sun Jun 22 2003 - 10:31:02 PDT)
salinthip thipayang
- which AMBER program to use to get the e-density output? (Wed Jun 11 2003 - 12:24:40 PDT)
Sameer P. Kawatkar
- Problem in separating LES copies into different trajectory (Tue Jun 10 2003 - 08:15:18 PDT)
Satish Kumar
- Re: May I get you help from new user of amber?(xmkmf) (Mon Jun 09 2003 - 08:46:53 PDT)
- Re: unit of output velocity (Fri Jun 06 2003 - 09:25:58 PDT)
Satish Mummadi
- Re: debug sander (Thu Jun 19 2003 - 01:32:02 PDT)
- any tool to know what functions are being called while sander is being run?? (Wed Jun 11 2003 - 06:42:58 PDT)
- Re: any tool to know what functions are being called while sander is being run?? (Tue Jun 10 2003 - 22:32:11 PDT)
- Re: May I get you help from new user of amber? (Mon Jun 09 2003 - 08:28:54 PDT)
- Re: unit of output velocity (Fri Jun 06 2003 - 09:39:45 PDT)
Shuang Ding
- restart MD (Tue Jun 10 2003 - 11:12:08 PDT)
- shake problem? (Mon Jun 09 2003 - 11:33:50 PDT)
- constant volume (Thu Jun 05 2003 - 15:26:39 PDT)
Shweta Sikri
- Re: Antechamber (Wed Jun 25 2003 - 12:26:31 PDT)
- Antechamber (Wed Jun 25 2003 - 09:47:52 PDT)
Sophia Kondratova
- RDPARM problems (ptraj) (Thu Jun 05 2003 - 10:13:35 PDT)
Steph
- Re: NOESY restraints (Sat Jun 21 2003 - 03:27:35 PDT)
Sukjoon Yoon
- Q) vdw radii & GBSA error (Fri Jun 06 2003 - 09:58:03 PDT)
sxzheng
- can you give me more advice about: vlimit exceeded when sander calculate free energies using TI (Mon Jun 16 2003 - 05:47:53 PDT)
- how to use profec??? (Sun Jun 08 2003 - 01:04:09 PDT)
Teletchéa Stéphane
- NOESY restraints (Fri Jun 20 2003 - 04:28:03 PDT)
Thomas
- GAFF in GUI MD apps (Tue Jun 24 2003 - 12:07:54 PDT)
Thomas Cheatham
- Re: ptraj question (Tue Jun 24 2003 - 13:56:51 PDT)
Tommi Kajander
- electrostatic interaction energ. /delphi (Tue Jun 24 2003 - 12:39:51 PDT)
Venkata S Koppuravuri
- Re: AMBER7 on linux cluster (Fri Jun 20 2003 - 07:53:17 PDT)
- AMBER7 on linux cluster (Tue Jun 17 2003 - 09:49:06 PDT)
Viktor Hornak
- Re: Problem in separating LES copies into different trajectory (Tue Jun 10 2003 - 08:50:36 PDT)
- Re: Install Amber7 in linux cluster (Mon Jun 02 2003 - 08:11:10 PDT)
Vlad Cojocaru
- helix axis for A-RNA (Tue Jun 10 2003 - 05:25:09 PDT)
Wen Li
- Install Amber7 in linux cluster (Mon Jun 02 2003 - 07:20:51 PDT)
Wu Yingliang
- May I get you help from new user of amber? (Mon Jun 09 2003 - 07:21:49 PDT)
XU Xingfu
- angle violation in SANDER simulation (Wed Jun 04 2003 - 02:11:24 PDT)
Yang, Mingfeng
- quasih problem (Wed Jun 11 2003 - 07:10:30 PDT)
Yichen Cao
- Amber6 on RH 9 (Thu Jun 26 2003 - 08:37:09 PDT)
Yong Duan
- RE: AMBER7 on linux cluster (Fri Jun 20 2003 - 18:35:04 PDT)
- RE: debug sander (Thu Jun 19 2003 - 02:21:27 PDT)
- RE: May I get you help from new user of amber? (Mon Jun 09 2003 - 08:12:41 PDT)
yuann
- 1-4 vdw term in Glycam2000 (Sun Jun 22 2003 - 21:24:16 PDT)
- Re: LEAP compiling problem (Tue Jun 17 2003 - 18:17:56 PDT)
- LEAP compiling problem (Tue Jun 17 2003 - 03:14:23 PDT)
Yuguang Mu
- Re: helix movement (Wed Jun 11 2003 - 05:47:34 PDT)
- PME (Wed Jun 11 2003 - 01:33:29 PDT)
- PME (Tue Jun 10 2003 - 05:04:08 PDT)
- Re: helix movement (Tue Jun 10 2003 - 03:47:42 PDT)
- unit of output velocity (Fri Jun 06 2003 - 08:33:01 PDT)
Yuhui Cheng
- Sander problem (Tue Jun 24 2003 - 19:31:28 PDT)
- Sander error (Tue Jun 17 2003 - 11:37:21 PDT)
zsx
- vlimit exceeded when sander calculate free energies using TI (Wed Jun 11 2003 - 04:51:09 PDT)

Amber Archive Jun 2003 by author