Amber Archive Sep 2003: By Thread

AMBER: processors Herbert Georg (Mon Sep 01 2003 - 12:30:04 PDT)
- Re: AMBER: processors Scott Brozell (Thu Sep 04 2003 - 09:50:10 PDT)
title card? Re: AMBER: what can't I use ibelly? nie beining (Mon Sep 01 2003 - 19:39:06 PDT)
- Re: title card? Re: AMBER: what can't I use ibelly? David A. Case (Mon Sep 01 2003 - 21:18:12 PDT)
  - AMBER: error message is the same after I added a title nie beining (Tue Sep 02 2003 - 08:20:11 PDT)
AMBER: MIPS R14000 and Machine-file Antonio J.Díaz Quintana (Tue Sep 02 2003 - 01:14:33 PDT)
AMBER: MIPS R14000 and Machine-file Antonio J.Díaz Quintana (Tue Sep 02 2003 - 04:49:37 PDT)
- Re: AMBER: MIPS R14000 and Machine-file Sanjeev B.S. (Tue Sep 02 2003 - 05:48:33 PDT)
- Re: AMBER: MIPS R14000 and Machine-file David A. Case (Tue Sep 02 2003 - 07:56:26 PDT)
AMBER: PMF ethane example: Can someone correct the INPUT? Thanks. Christophe L M J Verlinde (Tue Sep 02 2003 - 10:57:52 PDT)
- Re: AMBER: PMF ethane example: Can someone correct the INPUT? Thanks. David A. Case (Wed Sep 03 2003 - 08:38:56 PDT)
AMBER: GLYCAM/AMBER Configurator ayongye.sunchem.chem.uga.edu (Tue Sep 02 2003 - 11:36:51 PDT)
AMBER: surften value in mm_gbsa/mm_pbsa calculations Sergio E. Wong (Tue Sep 02 2003 - 12:34:22 PDT)
- Re: AMBER: surften value in mm_gbsa/mm_pbsa calculations Holger Gohlke (Tue Sep 02 2003 - 13:30:15 PDT)
  - AMBER: mm_pbsa - ?small bugs? Chris Moth (Wed Sep 24 2003 - 10:37:37 PDT)
    - AMBER: ?small bugs? - 2nd suggestion Chris Moth (Wed Sep 24 2003 - 13:23:41 PDT)
AMBER: atomic clash or structure size? atobak.eden.rutgers.edu (Tue Sep 02 2003 - 14:08:51 PDT)
- Re: AMBER: atomic clash or structure size? Qiang Lu (Tue Sep 02 2003 - 14:20:32 PDT)
- Re: AMBER: atomic clash or structure size? David A. Case (Wed Sep 03 2003 - 08:32:42 PDT)
AMBER: charge of IRON in HEME!! Pradipta Bandyopadhyay (Thu Sep 04 2003 - 17:28:11 PDT)
- Re: AMBER: charge of IRON in HEME!! Qiang Lu (Thu Sep 04 2003 - 17:40:48 PDT)
- RE: AMBER: charge of IRON in HEME!! Ming Lei (Fri Sep 05 2003 - 11:15:32 PDT)
AMBER: problems with periodic boundary conditions Monika Fuxreiter (Fri Sep 05 2003 - 02:17:40 PDT)
- Re: AMBER: problems with periodic boundary conditions Michael Crowley (Fri Sep 05 2003 - 07:32:29 PDT)
- Re: AMBER: problems with periodic boundary conditions David A. Case (Fri Sep 05 2003 - 07:43:29 PDT)
AMBER: DNA helix is not in z-direction A. Hungie (Fri Sep 05 2003 - 02:35:50 PDT)
- AMBER: IG value SEKIJIMA Masakazu (Fri Sep 05 2003 - 04:50:05 PDT)
  - Re: AMBER: IG value Carlos Simmerling (Fri Sep 05 2003 - 04:57:07 PDT)
  - Re: AMBER: IG value David A. Case (Fri Sep 05 2003 - 07:46:58 PDT)
    - AMBER: Accuracy of PB solvation energy Qing Zhang (Fri Sep 05 2003 - 10:15:15 PDT)
    - Re: AMBER: Accuracy of PB solvation energy Jiri Sponer (Fri Sep 05 2003 - 10:46:04 PDT)
- Re: AMBER: DNA helix is not in z-direction David A. Case (Fri Sep 05 2003 - 17:37:20 PDT)
AMBER: Using NWCHEM for esp? David E. Konerding DSD Staff (Fri Sep 05 2003 - 10:59:45 PDT)
- Re: AMBER: Using NWCHEM for esp? Peter Oelschlaeger (Fri Sep 05 2003 - 21:03:29 PDT)
  - Re: AMBER: Using NWCHEM for esp? FyD (Sun Sep 07 2003 - 14:19:33 PDT)
AMBER: 'ho' vDW parameters Lee, Matthew (Fri Sep 05 2003 - 15:33:12 PDT)
- Re: AMBER: 'ho' vDW parameters Junmei Wang (Mon Sep 08 2003 - 13:01:25 PDT)
  - Re: AMBER: 'ho' vDW parameters Carlos Simmerling (Mon Sep 08 2003 - 13:10:13 PDT)
  - RE: AMBER: 'ho' vDW parameters Yong Duan (Mon Sep 08 2003 - 13:27:48 PDT)
    - AMBER: Compiling 64-bit version on AIX Pratul K. Agarwal (Mon Sep 08 2003 - 19:00:55 PDT)
    - Re: AMBER: Compiling 64-bit version on AIX Nicolas Grima (Tue Sep 09 2003 - 00:11:03 PDT)
    - Re: AMBER: Compiling 64-bit version on AIX Pratul K. Agarwal (Tue Sep 09 2003 - 08:45:58 PDT)
    - Re: AMBER: Compiling 64-bit version on AIX Carlos P. Sosa (Tue Sep 09 2003 - 09:06:39 PDT)
    - Re: AMBER: Compiling 64-bit version on AIX David A. Case (Tue Sep 09 2003 - 09:36:12 PDT)
    - Re: AMBER: Compiling 64-bit version on AIX Pratul K. Agarwal (Tue Sep 09 2003 - 10:01:13 PDT)
AMBER: solvatebox-solvateshell Majid moghaddam (Sat Sep 06 2003 - 04:42:55 PDT)
- Re: AMBER: solvatebox-solvateshell David A. Case (Sat Sep 06 2003 - 12:56:39 PDT)
- Re: AMBER: solvatebox-solvateshell Thomas E. Cheatham, III (Sat Sep 06 2003 - 13:16:38 PDT)
- Re: AMBER: solvatebox-solvateshell Xavier Periole (Mon Sep 08 2003 - 14:46:00 PDT)
AMBER: charge definition Khanh KIm Dao (Sat Sep 06 2003 - 11:40:31 PDT)
- Re: AMBER: charge definition Holger Gohlke (Sat Sep 06 2003 - 12:00:01 PDT)
AMBER: update to answer about solvateShell David A. Case (Sat Sep 06 2003 - 13:00:50 PDT)
AMBER: dielectric constant for blends Taner E. Dirama (Mon Sep 08 2003 - 07:21:11 PDT)
- Re: AMBER: dielectric constant for blends David A. Case (Mon Sep 08 2003 - 08:23:34 PDT)
AMBER: parm. and top. for sugars, charmm? Endres, Robert G. (Mon Sep 08 2003 - 09:05:00 PDT)
- Re: AMBER: parm. and top. for sugars, charmm? Itziar Maestre Asenjo (Mon Sep 08 2003 - 22:57:27 PDT)
AMBER: radial distribution-function by Ptraj Petrodler.aol.com (Tue Sep 09 2003 - 02:15:10 PDT)
AMBER: reporting atoms clashed during simple energy minimization jackie.ibms.sinica.edu.tw (Tue Sep 09 2003 - 03:19:36 PDT)
- Re: AMBER: reporting atoms clashed during simple energy minimization Dr. Yong Duan (Tue Sep 09 2003 - 05:18:44 PDT)
- Re: AMBER: reporting atoms clashed during simple energy minimization David A. Case (Tue Sep 09 2003 - 08:36:29 PDT)
AMBER: SHAKE poblem with dummy atoms Itziar Maestre Asenjo (Tue Sep 09 2003 - 03:06:57 PDT)
- Re: AMBER: SHAKE poblem with dummy atoms David A. Case (Tue Sep 09 2003 - 08:38:49 PDT)
AMBER: PMF calculations Sébastien Canneaux (Tue Sep 09 2003 - 05:29:36 PDT)
AMBER: TIP5P Ulf Johansson (Tue Sep 09 2003 - 06:27:27 PDT)
- Re: AMBER: TIP5P David A. Case (Tue Sep 09 2003 - 08:32:58 PDT)
  - Re: AMBER: TIP5P Ulf Johansson (Wed Sep 10 2003 - 00:37:36 PDT)
    - Re: AMBER: TIP5P David A. Case (Wed Sep 10 2003 - 08:14:18 PDT)
AMBER: Re: torsional energy David A. Case (Wed Sep 10 2003 - 15:15:34 PDT)
AMBER: altering mass in .top file hagop demirdjian (Thu Sep 11 2003 - 02:07:02 PDT)
- Re: AMBER: altering mass in .top file Pascal Bonnet (Thu Sep 11 2003 - 03:05:15 PDT)
AMBER: EWALD BOMB and solvent density problem northrop.chem.ucla.edu (Thu Sep 11 2003 - 11:28:51 PDT)
AMBER: ptraj question Lishan Yao (Thu Sep 11 2003 - 12:48:08 PDT)
AMBER: gaff parameters astrid.maass (Fri Sep 12 2003 - 02:10:32 PDT)
- Re: AMBER: gaff parameters Kazuo Koyano (Fri Sep 12 2003 - 03:31:33 PDT)
- Re: AMBER: gaff parameters Junmei Wang (Fri Sep 12 2003 - 14:46:24 PDT)
AMBER: DMSO box Dalmaris, John (Fri Sep 12 2003 - 02:25:21 PDT)
- Re: AMBER: DMSO box Jiten (Fri Sep 12 2003 - 18:05:46 PDT)
AMBER: FF parameters for BOC - group Balvinder Singh (Fri Sep 12 2003 - 10:38:34 PDT)
- Re: AMBER: FF parameters for BOC - group Martin Lepsik (Fri Sep 12 2003 - 07:57:24 PDT)
AMBER: minimization error Venkata S Koppuravuri (Fri Sep 12 2003 - 12:00:05 PDT)
- Re: AMBER: minimization error Scott Brozell (Fri Sep 12 2003 - 12:24:37 PDT)
- Re: AMBER: minimization error David A. Case (Fri Sep 12 2003 - 14:19:48 PDT)
AMBER: AMBER on LINUX ?? (fwd) sangeeta.bioinfo.ernet.in (Sun Sep 14 2003 - 23:57:20 PDT)
- Re: AMBER: AMBER on LINUX ?? (fwd) Sanjeev B.S. (Mon Sep 15 2003 - 02:17:01 PDT)
- Re: AMBER: AMBER on LINUX ?? (fwd) David A. Case (Mon Sep 15 2003 - 13:08:56 PDT)
  - AMBER: MD simulations on small molecules immersed in sparse water shell Junmei Wang (Tue Sep 16 2003 - 09:42:56 PDT)
    - Re: AMBER: MD simulations on small molecules immersed in sparse water shell Alfonso Garcia Sosa (Tue Sep 16 2003 - 10:08:24 PDT)
    - Re: AMBER: MD simulations on small molecules immersed in sparse water shell rluo.uci.edu (Tue Sep 16 2003 - 11:16:41 PDT)
    - Re: AMBER: MD simulations on small molecules immersed in sparse water shell Carlos Simmerling (Tue Sep 16 2003 - 11:23:53 PDT)
    - Re: AMBER: MD simulations on small molecules immersed in sparse water shell rluo.uci.edu (Tue Sep 16 2003 - 12:07:03 PDT)
    - Re: AMBER: MD simulations on small molecules immersed in sparse water shell Carlos Simmerling (Tue Sep 16 2003 - 12:21:18 PDT)
AMBER: AMBER error in CHALANGE sd233.georgetown.edu (Mon Sep 15 2003 - 08:58:31 PDT)
- Re: AMBER: AMBER error in CHALANGE Carlos Simmerling (Mon Sep 15 2003 - 09:04:26 PDT)
- Re: AMBER: AMBER error in CHALANGE David A. Case (Mon Sep 15 2003 - 13:06:21 PDT)
AMBER: sander on cygwin Lee, Matthew (Mon Sep 15 2003 - 11:14:40 PDT)
- Re: AMBER: sander on cygwin David E. Konerding DSD Staff (Mon Sep 15 2003 - 11:24:29 PDT)
  - Re: AMBER: sander on cygwin David A. Case (Mon Sep 15 2003 - 13:03:23 PDT)
    - Re: AMBER: sander on cygwin David E. Konerding DSD Staff (Mon Sep 15 2003 - 14:21:57 PDT)
    - AMBER: PMEMD: dual XEON vs SGI cluster Chris Moth (Tue Sep 16 2003 - 14:46:45 PDT)
    - Re: AMBER: PMEMD: dual XEON vs SGI cluster Robert Duke (Mon Sep 15 2003 - 15:55:28 PDT)
    - Re: AMBER: PMEMD: dual XEON vs SGI cluster Johannes Zuegg (Mon Sep 15 2003 - 16:45:27 PDT)
    - RE: AMBER: PMEMD: dual XEON vs SGI cluster Chris Moth (Mon Sep 15 2003 - 18:55:46 PDT)
AMBER: performance vs number of processors GUILLERMINA L ESTIU (Mon Sep 15 2003 - 11:58:37 PDT)
- Re: AMBER: performance vs number of processors zhaoxc.puccini.che.pitt.edu (Mon Sep 15 2003 - 12:41:20 PDT)
  - AMBER: Compiling sander with single precision rluo.uci.edu (Tue Sep 16 2003 - 18:37:01 PDT)
    - Re: AMBER: Compiling sander with single precision Scott Brozell (Tue Sep 16 2003 - 18:59:25 PDT)
    - Re: AMBER: Compiling sander with single precision Mengjuei Hsieh (Wed Sep 17 2003 - 14:56:34 PDT)
- Re: AMBER: performance vs number of processors David A. Case (Mon Sep 15 2003 - 12:53:32 PDT)
- AMBER: leap/frcmod problem Joseph Nachman (Wed Sep 17 2003 - 13:08:37 PDT)
  - Re: AMBER: leap/frcmod problem David A. Case (Wed Sep 17 2003 - 13:57:18 PDT)
AMBER: Benchmark of AMBER on Apple G5 machine Mengjuei Hsieh (Mon Sep 15 2003 - 13:56:43 PDT)
AMBER: MD problem! Pradipta Bandyopadhyay (Tue Sep 16 2003 - 17:33:17 PDT)
- Re: AMBER: MD problem! darden (Wed Sep 17 2003 - 08:29:50 PDT)
AMBER: mfef90 - installation problem Joseph Maxwell (Wed Sep 17 2003 - 09:34:18 PDT)
- Re: AMBER: mfef90 - installation problem Michael Crowley (Wed Sep 17 2003 - 10:28:19 PDT)
  - Re: AMBER: mfef90 - installation problem Joseph Maxwell (Wed Sep 17 2003 - 11:11:58 PDT)
AMBER: Scyld cluster amber 7 compile problems Bengt Svensson (Wed Sep 17 2003 - 18:11:04 PDT)
- Re: AMBER: Scyld cluster amber 7 compile problems Scott Brozell (Thu Sep 18 2003 - 10:50:08 PDT)
AMBER: Amber 7 - bugfix 42 problem. Bengt Svensson (Wed Sep 17 2003 - 18:21:08 PDT)
- Re: AMBER: Amber 7 - bugfix 42 problem. David A. Case (Fri Sep 19 2003 - 11:17:10 PDT)
AMBER: Suggestion regarding long simulation. uddhavesh bhaskar sonavane (Wed Sep 17 2003 - 23:50:37 PDT)
- Re: AMBER: Suggestion regarding long simulation. Johannes Zuegg (Thu Sep 18 2003 - 15:56:39 PDT)
  - RE: AMBER: Suggestion regarding long simulation. Yong Duan (Thu Sep 18 2003 - 17:33:30 PDT)
    - Re: AMBER: Suggestion regarding long simulation. Carlos Simmerling (Thu Sep 18 2003 - 19:12:20 PDT)
    - Re: AMBER: Suggestion regarding long simulation. Carlos Simmerling (Fri Sep 19 2003 - 05:05:58 PDT)
AMBER: Calculating solvation energies for MM-PBSA use Thomas Steinbrecher (Thu Sep 18 2003 - 05:43:37 PDT)
- Re: AMBER: Calculating solvation energies for MM-PBSA use samantha hughes (Thu Sep 18 2003 - 06:13:04 PDT)
AMBER: FEP problem Itziar Maestre Asenjo (Thu Sep 18 2003 - 05:35:37 PDT)
- Re: AMBER: FEP problem David A. Case (Thu Sep 18 2003 - 08:08:18 PDT)
AMBER: re: MD problem!! Pradipta Bandyopadhyay (Thu Sep 18 2003 - 10:36:59 PDT)
- RE: AMBER: re: MD problem!! Yong Duan (Thu Sep 18 2003 - 12:32:49 PDT)
AMBER: Generalized Born parameters Peter VARNAI (Thu Sep 18 2003 - 11:51:24 PDT)
AMBER: MD problem!! Pradipta Bandyopadhyay (Thu Sep 18 2003 - 13:35:36 PDT)
- Re: AMBER: MD problem!! yduan.udel.edu (Thu Sep 18 2003 - 14:21:22 PDT)
AMBER: no defined type for atom N atom Wu Yingliang (Fri Sep 19 2003 - 05:57:12 PDT)
AMBER: no defined type for atom N atom Wu Yingliang (Fri Sep 19 2003 - 06:02:31 PDT)
- Re: AMBER: no defined type for atom N atom David A. Case (Fri Sep 19 2003 - 10:01:29 PDT)
AMBER: xLEAP Problem Stephen P. Molnar, Ph.D. (Fri Sep 19 2003 - 13:07:14 PDT)
- RE: AMBER: xLEAP Problem Niko Jukarainen (Fri Sep 19 2003 - 14:18:30 PDT)
- Re: AMBER: xLEAP Problem Kazuo Koyano (Sun Sep 21 2003 - 19:18:49 PDT)
- Re: AMBER: xLEAP Problem Donald Thomas (Sun Sep 21 2003 - 19:37:23 PDT)
- AMBER: Re: xLEAP Problem Stephen P. Molnar, Ph.D. (Mon Sep 22 2003 - 09:36:48 PDT)
AMBER: 'high' temp. simulation!! Pradipta Bandyopadhyay (Fri Sep 19 2003 - 13:09:05 PDT)
AMBER: double bonds in prmtop Herbert Georg (Fri Sep 19 2003 - 13:09:16 PDT)
- Re: AMBER: double bonds in prmtop Ioana Cozmuta (Fri Sep 19 2003 - 13:24:18 PDT)
  - Re: AMBER: double bonds in prmtop Herbert Georg (Fri Sep 19 2003 - 14:27:53 PDT)
    - Re: AMBER: double bonds in prmtop David A. Case (Fri Sep 19 2003 - 15:42:23 PDT)
    - AMBER: C-alpha RMS Do Anh Tuan (Fri Sep 19 2003 - 23:39:42 PDT)
    - Re: AMBER: C-alpha RMS Kun Song (Mon Sep 22 2003 - 06:45:20 PDT)
AMBER: AMBER Carnal files Frederico.Miranda.ibmb.uib.no (Sat Sep 20 2003 - 15:24:12 PDT)
- RE: AMBER: AMBER Carnal files Yong Duan (Sat Sep 20 2003 - 15:44:44 PDT)
  - RE: AMBER: AMBER Carnal files Frederico.Miranda.ibmb.uib.no (Sun Sep 21 2003 - 17:09:01 PDT)
    - RE: AMBER: AMBER Carnal files Yong Duan (Sun Sep 21 2003 - 19:02:40 PDT)
AMBER: slow simulation nie beining (Sun Sep 21 2003 - 23:46:21 PDT)
- Re: AMBER: slow simulation David A. Case (Mon Sep 22 2003 - 07:54:46 PDT)
AMBER: plane angle. Pascal Bonnet (Mon Sep 22 2003 - 08:14:44 PDT)
AMBER: slower simulation nie beining (Mon Sep 22 2003 - 08:43:24 PDT)
- Re: AMBER: slower simulation Carlos Simmerling (Mon Sep 22 2003 - 08:59:02 PDT)
AMBER: Antechamber problem Shafinaz (Mon Sep 22 2003 - 09:33:58 PDT)
- Re: AMBER: Antechamber problem David A. Case (Tue Sep 23 2003 - 08:19:54 PDT)
AMBER: Slower simulation and pair-range cutoff? nie beining (Mon Sep 22 2003 - 10:11:11 PDT)
Re: AMBER: plane angle. Bill Ross (Mon Sep 22 2003 - 11:42:40 PDT)
AMBER: increase size of NATOM or NRES for "ambpdb" Wen Li (Mon Sep 22 2003 - 12:14:36 PDT)
- Re: AMBER: increase size of NATOM or NRES for "ambpdb" David A. Case (Mon Sep 22 2003 - 12:24:12 PDT)
AMBER: Carnal Input file Frederico.Miranda.ibmb.uib.no (Mon Sep 22 2003 - 16:06:55 PDT)
- RE: AMBER: Carnal Input file Ming Lei (Mon Sep 22 2003 - 20:34:05 PDT)
Re: AMBER: Carnal Input file Bill Ross (Mon Sep 22 2003 - 16:23:27 PDT)
AMBER: How can I set ntx=7, but exclude the velocity? Margaret S. Cheung (Tue Sep 23 2003 - 08:30:28 PDT)
- Re: AMBER: How can I set ntx=7, but exclude the velocity? Carlos Simmerling (Tue Sep 23 2003 - 08:35:28 PDT)
AMBER: pair-cutoff nie beining (Tue Sep 23 2003 - 08:40:32 PDT)
- Re: AMBER: pair-cutoff David A. Case (Tue Sep 23 2003 - 08:59:01 PDT)
AMBER: GROUP Atchara Wijitkosoom (Tue Sep 23 2003 - 13:04:20 PDT)
AMBER: residues and molecules GUILLERMINA L ESTIU (Tue Sep 23 2003 - 14:56:01 PDT)
- Re: AMBER: residues and molecules David A. Case (Wed Sep 24 2003 - 11:45:40 PDT)
  - Re: AMBER: residues and molecules Robert Duke (Wed Sep 24 2003 - 12:53:20 PDT)
AMBER: PMEMD 3.03 Update available Robert Duke (Tue Sep 23 2003 - 19:13:57 PDT)
AMBER: cd-c-os and c3-cd-c angle parameters Vikas Varshney (Wed Sep 24 2003 - 08:10:09 PDT)
- Re: AMBER: cd-c-os and c3-cd-c angle parameters Junmei Wang (Wed Sep 24 2003 - 11:16:18 PDT)
  - AMBER: problem with file format Shafinaz (Wed Sep 24 2003 - 12:05:23 PDT)
    - Re: AMBER: problem with file format David A. Case (Wed Sep 24 2003 - 12:28:22 PDT)
    - RE: AMBER: problem with file format Shafinaz (Wed Sep 24 2003 - 13:29:10 PDT)
    - RE: AMBER: problem with file format Junmei Wang (Wed Sep 24 2003 - 13:34:14 PDT)
AMBER: NaCl ion pairs in TIP3P water box Nathan A. Baker (Wed Sep 24 2003 - 13:13:11 PDT)
- Re: AMBER: NaCl ion pairs in TIP3P water box David A. Case (Wed Sep 24 2003 - 14:09:06 PDT)
- Re: AMBER: NaCl ion pairs in TIP3P water box Jiri Sponer (Wed Sep 24 2003 - 14:41:27 PDT)
- Re: AMBER: NaCl ion pairs in TIP3P water box Bill Ross (Wed Sep 24 2003 - 15:13:47 PDT)
  - Re: AMBER: NaCl ion pairs in TIP3P water box Ioana Cozmuta (Wed Sep 24 2003 - 15:30:26 PDT)
    - Re: AMBER: NaCl ion pairs in TIP3P water box M. L. Dodson (Wed Sep 24 2003 - 16:53:22 PDT)
    - Re: AMBER: NaCl ion pairs in TIP3P water box Nathan A. Baker (Wed Sep 24 2003 - 18:14:47 PDT)
    - Re: AMBER: NaCl ion pairs in TIP3P water box Jiri Sponer (Thu Sep 25 2003 - 04:59:51 PDT)
    - Re: AMBER: NaCl ion pairs in TIP3P water box Pascal Auffinger (Thu Sep 25 2003 - 06:30:08 PDT)
Re: AMBER: NaCl ion pairs in TIP3P water box Bill Ross (Wed Sep 24 2003 - 13:53:39 PDT)
AMBER: MM_PBSA(GBSA) Examples Kazuo Koyano (Thu Sep 25 2003 - 03:35:50 PDT)
AMBER: MM_PBSA(GBSA) Examples Chris Moth (Thu Sep 25 2003 - 08:56:23 PDT)
- Re: AMBER: MM_PBSA(GBSA) Examples Kazuo Koyano (Fri Sep 26 2003 - 03:37:40 PDT)
AMBER: Online model of 2C9 Peter Gannett (Thu Sep 25 2003 - 12:23:22 PDT)
- AMBER: about the mopac7 installation. Yong Wang (Fri Sep 26 2003 - 00:07:16 PDT)
AMBER: MeCNBOX northrop.chem.ucla.edu (Thu Sep 25 2003 - 12:35:03 PDT)
- Re: AMBER: MeCNBOX David A. Case (Thu Sep 25 2003 - 13:25:23 PDT)
  - Re: AMBER: MeCNBOX northrop.chem.ucla.edu (Thu Sep 25 2003 - 13:40:37 PDT)
  - Re: AMBER: MeCNBOX northrop.chem.ucla.edu (Thu Sep 25 2003 - 13:47:03 PDT)
    - Re: AMBER: MeCNBOX James W. Caldwell (Thu Sep 25 2003 - 14:04:03 PDT)
- Re: AMBER: MeCNBOX Pascal Bonnet (Fri Sep 26 2003 - 01:38:03 PDT)
AMBER: Re:MeCNBOX Pradipta Bandyopadhyay (Thu Sep 25 2003 - 14:23:09 PDT)
AMBER: Zn in antechamber Lishan Yao (Fri Sep 26 2003 - 06:48:44 PDT)
- Re: AMBER: Zn in antechamber Junmei Wang (Fri Sep 26 2003 - 07:47:45 PDT)
  - Re: AMBER: Zn in antechamber Lishan Yao (Fri Sep 26 2003 - 08:01:41 PDT)
    - Re: AMBER: Zn in antechamber Junmei Wang (Fri Sep 26 2003 - 10:00:11 PDT)
    - Re: AMBER: Zn in antechamber Lishan Yao (Fri Sep 26 2003 - 12:15:21 PDT)
    - Re: AMBER: Zn in antechamber Junmei Wang (Fri Sep 26 2003 - 13:24:46 PDT)
    - Re: AMBER: Zn in antechamber Lishan Yao (Mon Sep 29 2003 - 08:13:42 PDT)
    - Re: AMBER: Zn in antechamber Junmei Wang (Mon Sep 29 2003 - 08:32:52 PDT)
    - Re: AMBER: Zn in antechamber Lishan Yao (Mon Sep 29 2003 - 08:59:09 PDT)
    - Re: AMBER: Zn in antechamber Junmei Wang (Mon Sep 29 2003 - 09:38:09 PDT)
    - Re: AMBER: Zn in antechamber Lishan Yao (Mon Sep 29 2003 - 13:15:04 PDT)
- Re: AMBER: Zn in antechamber Rhonda Torres (Fri Sep 26 2003 - 10:24:16 PDT)
AMBER: non-bonded cutoffs Michael Dolan (Fri Sep 26 2003 - 08:17:16 PDT)
- Re: AMBER: non-bonded cutoffs David A. Case (Fri Sep 26 2003 - 08:32:09 PDT)
  - Re: AMBER: non-bonded cutoffs Michael Dolan (Fri Sep 26 2003 - 08:39:34 PDT)
AMBER: Phase for torsion angle different of 0 or 180 ? Teletchéa Stéphane (Fri Sep 26 2003 - 09:27:34 PDT)
- Re: AMBER: Phase for torsion angle different of 0 or 180 ? David A. Case (Fri Sep 26 2003 - 13:41:35 PDT)
  - AMBER: polarizability and PME Martin Mucha (Sat Sep 27 2003 - 07:46:08 PDT)
    - Re: AMBER: polarizability and PME David A. Case (Sat Sep 27 2003 - 09:17:46 PDT)
AMBER: FW: Residual dipolar couplings McAteer, Kathleen (Fri Sep 26 2003 - 12:44:57 PDT)
- Re: AMBER: FW: Residual dipolar couplings David A. Case (Fri Sep 26 2003 - 13:36:25 PDT)
AMBER: AMBER quasih question(s) Rachel Ward (Mon Sep 29 2003 - 12:39:17 PDT)
AMBER: nstlim Amber Administration (Mon Sep 29 2003 - 16:55:42 PDT)
- Re: AMBER: nstlim Robert Duke (Mon Sep 29 2003 - 18:40:24 PDT)
AMBER: A problem about xleap Jiang Pengju (Mon Sep 29 2003 - 19:04:14 PDT)
- Re: AMBER: A problem about xleap John Bushnell (Tue Sep 30 2003 - 10:13:06 PDT)
AMBER: density equilibrium & harmonic restrain yuann (Mon Sep 29 2003 - 19:59:50 PDT)
AMBER: iam a newbie !!! Karthikeyan Pasupathy (Mon Sep 29 2003 - 21:25:05 PDT)
- Re: AMBER: iam a newbie !!! Vlad Cojocaru (Tue Sep 30 2003 - 02:12:43 PDT)
AMBER: following salt and waterbridges during a simulation Karsten Suhre (Mon Sep 29 2003 - 23:33:31 PDT)
AMBER: TTF parameters northrop.chem.ucla.edu (Mon Sep 29 2003 - 23:49:20 PDT)
Re: AMBER: improper Bill Ross (Tue Sep 30 2003 - 13:15:28 PDT)
AMBER: improper Li Ying (Tue Sep 30 2003 - 13:08:11 PDT)

Amber Archive Sep 2003 By Thread