Amber Archive Aug 2005: by thread

AMBER: AMBER8 crashes machine(nodes) under IBM compiler, Suse Linux, amd IBM loadleveler Soo (Sun Jul 31 2005 - 19:45:01 PDT)
AMBER: coordinated water molecules deleted when addions Ye Mei (Mon Aug 01 2005 - 02:20:11 PDT)
- Re: AMBER: coordinated water molecules deleted when addions David A. Case (Mon Aug 01 2005 - 06:39:39 PDT)
- RE: AMBER: coordinated water molecules deleted when addions Ross Walker (Mon Aug 01 2005 - 10:09:17 PDT)
Re: AMBER: Modeling of a radical L Jin (Mon Aug 01 2005 - 06:50:55 PDT)
Re: AMBER: questions about MG ions JIANING WANG (Mon Aug 01 2005 - 07:27:45 PDT)
AMBER: ptraj help, how to enable disabled ptraj routine? opitz.che.udel.edu (Mon Aug 01 2005 - 08:19:20 PDT)
- Re: AMBER: ptraj help, how to enable disabled ptraj routine? Thomas E. Cheatham, III (Mon Aug 01 2005 - 13:51:27 PDT)
AMBER: antechamber problem using RESP luckyang.gmail.com (Mon Aug 01 2005 - 18:29:26 PDT)
AMBER: AMBER8 limitation of memory in QM/MM calculation nadtanet nunthaboot (Mon Aug 01 2005 - 19:21:59 PDT)
- RE: AMBER: AMBER8 limitation of memory in QM/MM calculation Ross Walker (Mon Aug 01 2005 - 19:52:32 PDT)
- RE: AMBER: AMBER8 limitation of memory in QM/MM calculation Ross Walker (Mon Aug 01 2005 - 19:52:29 PDT)
AMBER: memory_mm_pbsa Wei Chen (Mon Aug 01 2005 - 20:00:34 PDT)
- RE: AMBER: memory_mm_pbsa Ross Walker (Mon Aug 01 2005 - 20:14:47 PDT)
  - RE: AMBER: memory_mm_pbsa Wei Chen (Mon Aug 01 2005 - 21:03:34 PDT)
AMBER: strange minimalization output blakrose.gazeta.pl (Tue Aug 02 2005 - 07:56:38 PDT)
- RE: AMBER: strange minimalization output Ross Walker (Tue Aug 02 2005 - 08:47:59 PDT)
AMBER: Leap set head/tail question Kara Di Giorgio (Tue Aug 02 2005 - 11:01:08 PDT)
- RE: AMBER: Leap set head/tail question Rhoad, Jonathan S. (Tue Aug 02 2005 - 11:10:42 PDT)
- RE: AMBER: Leap set head/tail question Ross Walker (Tue Aug 02 2005 - 11:28:03 PDT)
  - RE: AMBER: Leap set head/tail question Ilyas Yildirim (Wed Aug 03 2005 - 14:40:23 PDT)
AMBER: Boron and Amber Kara Di Giorgio (Tue Aug 02 2005 - 13:18:46 PDT)
AMBER: bond breaking/ energetic ion vannajan.chiangmai.ac.th (Tue Aug 02 2005 - 19:11:16 PDT)
- RE: AMBER: bond breaking/ energetic ion Ross Walker (Tue Aug 02 2005 - 19:26:02 PDT)
AMBER: power supply crash==>boot problems Kristof Stevens (Wed Aug 03 2005 - 01:20:08 PDT)
- Re: AMBER: power supply crash==>boot problems David LeBard (Wed Aug 03 2005 - 10:20:30 PDT)
AMBER: bond parameters Gustavo Pierdominici Sottile (Wed Aug 03 2005 - 07:39:34 PDT)
- Re: AMBER: bond parameters ivan.mmb.pcb.ub.es (Wed Aug 03 2005 - 07:54:29 PDT)
- RE: AMBER: bond parameters Ross Walker (Wed Aug 03 2005 - 09:11:00 PDT)
AMBER: installing amber7 on 64bit cluster MURAT CETINKAYA (Wed Aug 03 2005 - 08:46:20 PDT)
- RE: AMBER: installing amber7 on 64bit cluster Zhang Bing (Wed Aug 03 2005 - 18:33:55 PDT)
- RE: AMBER: installing amber7 on 64bit cluster Ross Walker (Wed Aug 03 2005 - 23:39:22 PDT)
- RE: AMBER: installing amber7 on 64bit cluster MURAT CETINKAYA (Thu Aug 04 2005 - 08:04:47 PDT)
AMBER: Strange difference in speed between Altix (Itanium2) and Tezro (MIPS) SGI for small GB/SA run David.Maxwell.di.mdacc.tmc.edu (Wed Aug 03 2005 - 10:39:43 PDT)
- Re: AMBER: Strange difference in speed between Altix (Itanium2) and Tezro (MIPS) SGI for small GB/SA run Roberto Gomperts (Thu Aug 04 2005 - 04:57:12 PDT)
Re: AMBER: bond breaking/ energetic ion Bill Ross (Wed Aug 03 2005 - 10:41:36 PDT)
AMBER: Error with antechamber Joseph Fernandez (Wed Aug 03 2005 - 12:45:29 PDT)
- Re: AMBER: Error with antechamber David A. Case (Fri Aug 05 2005 - 05:26:36 PDT)
AMBER: a trivial question Linchen Gong (Thu Aug 04 2005 - 02:14:04 PDT)
- Re: AMBER: a trivial question Carlos Simmerling (Thu Aug 04 2005 - 04:28:36 PDT)
  - RE: Re: AMBER: a trivial question Linchen Gong (Fri Aug 05 2005 - 08:26:25 PDT)
    - RE: Re: AMBER: a trivial question David LeBard (Fri Aug 05 2005 - 09:32:47 PDT)
    - RE: RE: Re: AMBER: a trivial question Linchen Gong (Fri Aug 05 2005 - 19:52:39 PDT)
AMBER: nmode Wei Chen (Thu Aug 04 2005 - 11:04:17 PDT)
- RE: AMBER: nmode Yong Duan (Thu Aug 04 2005 - 17:03:26 PDT)
  - RE: AMBER: nmode Wei Chen (Thu Aug 04 2005 - 20:07:43 PDT)
AMBER: Incorrect imaging when using Periodic Boundary Conditions in NAMD with AMBER parameters Grzegorz Jezierski (Thu Aug 04 2005 - 11:24:42 PDT)
AMBER: about salt bridges xueping (Thu Aug 04 2005 - 23:34:18 PDT)
- Re: AMBER: about salt bridges Carlos Simmerling (Fri Aug 05 2005 - 04:53:06 PDT)
AMBER: Conformational energy (QM) for parameterization yuann (Fri Aug 05 2005 - 03:09:14 PDT)
AMBER: leap question Kara Di Giorgio (Fri Aug 05 2005 - 09:38:47 PDT)
- Re: AMBER: leap question David A. Case (Fri Aug 05 2005 - 15:34:39 PDT)
  - Re: AMBER: leap question Kara Di Giorgio (Fri Aug 05 2005 - 18:56:40 PDT)
    - Re: AMBER: leap question David A. Case (Sat Aug 06 2005 - 04:33:44 PDT)
    - Re: AMBER: leap question Kara Di Giorgio (Sat Aug 06 2005 - 20:02:45 PDT)
AMBER: NMR refinement Lei Jia (Fri Aug 05 2005 - 12:50:29 PDT)
AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) Hwankyu Lee (Fri Aug 05 2005 - 20:44:07 PDT)
- Re: AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) David A. Case (Sat Aug 06 2005 - 04:26:14 PDT)
- RE: AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) Ross Walker (Sat Aug 06 2005 - 11:47:26 PDT)
AMBER: is calculated B-factors always smaller than experimental ones? haixiao jin (Sun Aug 07 2005 - 07:57:54 PDT)
- Re: AMBER: is calculated B-factors always smaller than experimental ones? Carlos Simmerling (Sun Aug 07 2005 - 08:23:42 PDT)
  - Re: AMBER: is calculated B-factors always smaller than experimental ones? haixiao jin (Sun Aug 07 2005 - 22:33:48 PDT)
AMBER: How to calculate hydrogen bond involved with water molecules quickly? haixiao jin (Sun Aug 07 2005 - 22:07:48 PDT)
AMBER: Zymeworks job posting John Vieceli (Mon Aug 08 2005 - 10:11:42 PDT)
AMBER: RE: is calculated B-factors always smaller than experimental ones? Yong Duan (Mon Aug 08 2005 - 11:24:26 PDT)
- Re: AMBER: RE: is calculated B-factors always smaller than experimental ones? haixiao jin (Mon Aug 08 2005 - 22:47:19 PDT)
AMBER: Tutorial question and some more... blakrose.gazeta.pl (Mon Aug 08 2005 - 23:49:45 PDT)
- RE: AMBER: Tutorial question and some more... Ross Walker (Tue Aug 09 2005 - 12:03:01 PDT)
- Re: AMBER: Tutorial question and some more... blakrose.gazeta.pl (Tue Aug 09 2005 - 14:00:20 PDT)
  - Re: AMBER: Tutorial question and some more... Yam (Wed Aug 10 2005 - 00:50:54 PDT)
Re: AMBER: Tutorial question and some more... Bill Ross (Tue Aug 09 2005 - 11:30:46 PDT)
AMBER: The “crystallographic” waters should be retained or deleted? haixiao jin (Wed Aug 10 2005 - 05:35:34 PDT)
AMBER: Creating protonated cytidine residue Peter Cornish (Wed Aug 10 2005 - 07:57:17 PDT)
AMBER: replica exchange Anthony Cruz (Wed Aug 10 2005 - 11:13:41 PDT)
Re: AMBER: comparing md trajectories Austin B. Yongye (Wed Aug 10 2005 - 14:16:08 PDT)
AMBER: ptraj command inputs opitz.che.udel.edu (Wed Aug 10 2005 - 15:29:34 PDT)
- Re: AMBER: ptraj command inputs Thomas E. Cheatham, III (Wed Aug 10 2005 - 15:43:31 PDT)
AMBER: group-based cutoff John Vieceli (Wed Aug 10 2005 - 17:44:56 PDT)
- RE: AMBER: group-based cutoff Ross Walker (Wed Aug 10 2005 - 18:57:35 PDT)
- Re: AMBER: group-based cutoff Thomas E. Cheatham, III (Wed Aug 10 2005 - 19:53:38 PDT)
AMBER: solvent problem blakrose.gazeta.pl (Thu Aug 11 2005 - 00:14:17 PDT)
AMBER: Atom type problem nag raj (Thu Aug 11 2005 - 07:18:31 PDT)
- Re: AMBER: Atom type problem Ilyas Yildirim (Thu Aug 11 2005 - 08:15:28 PDT)
- Re: AMBER: Atom type problem Ilyas Yildirim (Thu Aug 11 2005 - 09:40:12 PDT)
AMBER: molsurf: problem with calculate surface area Magne Olufsen (Fri Aug 12 2005 - 01:06:45 PDT)
AMBER: How is the origin of the grid defined?(PBSA question) JunJun Liu (Sun Aug 14 2005 - 09:35:46 PDT)
- Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Sat Aug 13 2005 - 12:40:54 PDT)
  - Re: AMBER: How is the origin of the grid defined?(PBSA question) Suxin Zheng (Tue Aug 16 2005 - 13:54:27 PDT)
    - Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Tue Aug 16 2005 - 06:46:01 PDT)
- Re: AMBER: How is the origin of the grid defined?(PBSA question) JunJun Liu (Tue Aug 23 2005 - 01:46:03 PDT)
  - Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Mon Aug 22 2005 - 18:15:48 PDT)
AMBER: wtmol and resp Guanglei Cui (Mon Aug 15 2005 - 07:59:42 PDT)
AMBER: difference of energy in sander and nmode in amber 7 sebnem (Mon Aug 15 2005 - 14:55:24 PDT)
- Re: AMBER: difference of energy in sander and nmode in amber 7 sebnem (Wed Aug 17 2005 - 08:39:02 PDT)
- Re: AMBER: difference of energy in sander and nmode in amber 7 David A. Case (Wed Aug 17 2005 - 09:36:11 PDT)
  - Re: AMBER: difference of energy in sander and nmode in amber 7 sebnem (Wed Aug 17 2005 - 10:51:15 PDT)
    - Re: AMBER: difference of energy in sander and nmode in amber 7 David A. Case (Thu Aug 18 2005 - 07:39:55 PDT)
AMBER: AMBER on g5 10.4 w/g95 or gfortran Rachel Burdge (Tue Aug 16 2005 - 08:12:40 PDT)
- Re: AMBER: AMBER on g5 10.4 w/g95 or gfortran justin litchfield (Tue Aug 16 2005 - 09:27:26 PDT)
AMBER: Format of atom specifiication after FIND Joseph Nachman (Tue Aug 16 2005 - 12:02:55 PDT)
AMBER: min problem Gustavo Pierdominici Sottile (Tue Aug 16 2005 - 16:05:56 PDT)
- RE: AMBER: min problem Ross Walker (Fri Aug 19 2005 - 11:52:36 PDT)
AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 Ilyas Yildirim (Tue Aug 16 2005 - 18:40:11 PDT)
- Re: AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 S. Teletchéa (Wed Aug 17 2005 - 16:22:43 PDT)
  - Re: AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 Ilyas Yildirim (Wed Aug 17 2005 - 17:04:37 PDT)
AMBER: QM/MM jojartb.pharm.u-szeged.hu (Wed Aug 17 2005 - 04:42:06 PDT)
- RE: AMBER: QM/MM Ross Walker (Fri Aug 19 2005 - 11:27:44 PDT)
AMBER: glycan Wei Chen (Wed Aug 17 2005 - 11:25:27 PDT)
- Re: AMBER: glycan kkirschn.hamilton.edu (Wed Aug 17 2005 - 12:55:35 PDT)
  - Re: AMBER: glycan Wei Chen (Wed Aug 17 2005 - 15:29:52 PDT)
AMBER: residence time of electrons/holes in DNA ioana.pegasus.arc.nasa.gov (Wed Aug 17 2005 - 14:48:43 PDT)
- Re: AMBER: residence time of electrons/holes in DNA David LeBard (Wed Aug 17 2005 - 16:43:47 PDT)
AMBER: Energy Comparisons Kara Di Giorgio (Wed Aug 17 2005 - 15:00:44 PDT)
- Re: AMBER: Energy Comparisons Wei Chen (Wed Aug 17 2005 - 15:24:08 PDT)
AMBER: Amber 8: all_nucleic94.lib nucleotide geometry Angela Liu (Wed Aug 17 2005 - 15:42:03 PDT)
Re: AMBER: Amber 8: all_nucleic94.lib nucleotide geometry Bill Ross (Wed Aug 17 2005 - 16:04:49 PDT)
AMBER: ew_bspline.h error khn _ (Wed Aug 17 2005 - 20:33:08 PDT)
- Re: AMBER: ew_bspline.h error Michael Crowley (Fri Aug 19 2005 - 08:54:39 PDT)
- RE: AMBER: ew_bspline.h error Ross Walker (Fri Aug 19 2005 - 11:33:57 PDT)
- RE: AMBER: ew_bspline.h error Ross Walker (Fri Aug 26 2005 - 08:03:29 PDT)
AMBER: mm_pbsa amit.mbu.iisc.ernet.in (Thu Aug 18 2005 - 14:04:40 PDT)
- Re: AMBER: mm_pbsa Ray Luo (Thu Aug 18 2005 - 14:43:51 PDT)
  - Re: AMBER: mm_pbsa amit.mbu.iisc.ernet.in (Sat Aug 20 2005 - 00:46:24 PDT)
    - Re: AMBER: mm_pbsa Ray Luo (Sun Aug 21 2005 - 11:29:41 PDT)
AMBER: parm99.dat non-bonded parameters Angela Liu (Thu Aug 18 2005 - 15:00:45 PDT)
- Re: AMBER: parm99.dat non-bonded parameters Anthony Fejes (Fri Aug 19 2005 - 09:35:36 PDT)
  - Re: AMBER: parm99.dat non-bonded parameters Angela Liu (Fri Aug 19 2005 - 10:44:03 PDT)
    - Re: AMBER: parm99.dat non-bonded parameters Anthony Fejes (Fri Aug 19 2005 - 11:18:36 PDT)
AMBER: parallel amber8 with mpi through qsnet Ye Mei (Thu Aug 18 2005 - 19:11:55 PDT)
- RE: AMBER: parallel amber8 with mpi through qsnet Ross Walker (Fri Aug 19 2005 - 11:42:40 PDT)
AMBER: How to construct a lipid bilayer nag raj (Thu Aug 18 2005 - 22:01:06 PDT)
AMBER: ptraj correlation facility Simon Whitehead (Fri Aug 19 2005 - 02:15:41 PDT)
AMBER: amber8installation cbala.igib.res.in (Fri Aug 19 2005 - 05:53:03 PDT)
- Re: AMBER: amber8installation Carlos Simmerling (Fri Aug 19 2005 - 05:13:24 PDT)
  - Re: AMBER: amber8installation cbala.igib.res.in (Fri Aug 19 2005 - 08:33:44 PDT)
AMBER: shake Gustavo Pierdominici Sottile (Fri Aug 19 2005 - 09:37:46 PDT)
- Re: AMBER: shake Carlos Simmerling (Fri Aug 19 2005 - 09:45:16 PDT)
AMBER: structures extracted from mmpbsa Lwin, ThuZar (Fri Aug 19 2005 - 16:25:44 PDT)
AMBER: minimization stuck problem blakrose.gazeta.pl (Sat Aug 20 2005 - 04:46:07 PDT)
- Re: AMBER: minimization stuck problem Carlos Simmerling (Sat Aug 20 2005 - 05:10:45 PDT)
  - RE: AMBER: minimization stuck problem Yong Duan (Sat Aug 20 2005 - 06:05:03 PDT)
- RE: AMBER: minimization stuck problem Ross Walker (Sat Aug 20 2005 - 11:00:11 PDT)
AMBER: minimization stuck problem blakrose.gazeta.pl (Sat Aug 20 2005 - 05:32:31 PDT)
AMBER: AMBER topology file format santanu chatterjee (Mon Aug 22 2005 - 02:18:18 PDT)
AMBER: Restraints kanon gemini (Mon Aug 22 2005 - 03:58:25 PDT)
Re: AMBER: Restraints Carlos Simmerling (Mon Aug 22 2005 - 05:12:26 PDT)
AMBER: minimization stuck problem blakrose.gazeta.pl (Mon Aug 22 2005 - 08:17:29 PDT)
- Re: AMBER: minimization stuck problem blakrose.gazeta.pl (Sat Aug 20 2005 - 14:11:54 PDT)
  - RE: AMBER: minimization stuck problem Ross Walker (Sun Aug 21 2005 - 13:02:09 PDT)
    - Re: AMBER: minimization stuck problem Adrian Roitberg (Sun Aug 21 2005 - 14:29:53 PDT)
- RE: AMBER: minimization stuck problem Ross Walker (Tue Aug 23 2005 - 08:22:53 PDT)
AMBER: How to deal with the problem that a molecule go out the virtual box in vaccum Li Su (Tue Aug 23 2005 - 10:37:38 PDT)
- RE: AMBER: How to deal with the problem that a molecule go out the virtual box in vaccum Ross Walker (Tue Aug 23 2005 - 21:42:52 PDT)
AMBER: mm_pbsa energy decomposition error amit.mbu.iisc.ernet.in (Wed Aug 24 2005 - 05:06:34 PDT)
- Re: AMBER: mm_pbsa energy decomposition error David A. Case (Wed Aug 24 2005 - 06:26:49 PDT)
  - Re: AMBER: mm_pbsa energy decomposition error amit.mbu.iisc.ernet.in (Thu Aug 25 2005 - 04:57:18 PDT)
AMBER: essential dynamics Anthony Cruz (Wed Aug 24 2005 - 10:50:03 PDT)
- Re: AMBER: essential dynamics John Mongan (Wed Aug 24 2005 - 09:27:46 PDT)
AMBER: Replica exchange Anthony Cruz (Wed Aug 24 2005 - 10:57:42 PDT)
AMBER: a problem encountered when trying to equalibrate alanine dipeptide in explicit water Li Su (Wed Aug 24 2005 - 10:36:06 PDT)
- RE: AMBER: a problem encountered when trying to equalibrate alanine dipeptide in explicit water Ross Walker (Wed Aug 24 2005 - 10:45:59 PDT)
AMBER: ptraj efficiency justin litchfield (Wed Aug 24 2005 - 11:13:03 PDT)
- RE: AMBER: ptraj efficiency Ross Walker (Wed Aug 24 2005 - 11:29:36 PDT)
AMBER: RED II and Gaussian Raviprasad Aduri (Wed Aug 24 2005 - 19:01:46 PDT)
- Re: AMBER: RED II and Gaussian FyD (Sat Aug 27 2005 - 08:02:09 PDT)
  - Re: AMBER: RED II and Gaussian rpaduri.chem.wayne.edu (Sat Aug 27 2005 - 15:40:53 PDT)
AMBER: Antechamber error "Cannot successfully assign bond type for this molecule" Whitney Allen (Thu Aug 25 2005 - 09:13:11 PDT)
AMBER: PLease remove my post rpaduri.chem.wayne.edu (Thu Aug 25 2005 - 09:08:38 PDT)
AMBER: Add constraints over time Andrew Box (Thu Aug 25 2005 - 22:51:49 PDT)
- RE: AMBER: Add constraints over time Ross Walker (Fri Aug 26 2005 - 09:41:04 PDT)
AMBER: minimization blakrose.gazeta.pl (Fri Aug 26 2005 - 05:20:25 PDT)
- RE: AMBER: minimization Ross Walker (Fri Aug 26 2005 - 08:07:59 PDT)
AMBER: replica exchange Anthony Cruz (Fri Aug 26 2005 - 09:53:48 PDT)
Re: AMBER: replica exchange Carlos Simmerling (Fri Aug 26 2005 - 08:16:51 PDT)
- Re: AMBER: replica exchange Anthony Cruz (Fri Aug 26 2005 - 11:14:47 PDT)
  - AMBER: NRESPA Sergio E. Wong (Sat Aug 27 2005 - 12:12:29 PDT)
AMBER: compilation problem (Mac OS X.4) Mark H. Schofield (Fri Aug 26 2005 - 09:07:05 PDT)
Re: AMBER: Replica exchange Carlos Simmerling (Sun Aug 28 2005 - 06:16:46 PDT)
- Re: AMBER: Replica exchange Anthony Cruz (Mon Aug 29 2005 - 05:46:52 PDT)
AMBER: can I setup a simulation with restrain the COM of a group to a reference structure? bzlu.ucsd.edu (Sun Aug 28 2005 - 13:32:33 PDT)
AMBER: Temperature equilibration Anthony Cruz (Mon Aug 29 2005 - 05:44:04 PDT)
- RE: AMBER: Temperature equilibration Ross Walker (Mon Aug 29 2005 - 08:44:08 PDT)
  - Re: AMBER: Temperature equilibration Anthony Cruz (Mon Aug 29 2005 - 12:47:36 PDT)
AMBER: params for cofactors Michael Dolan (Mon Aug 29 2005 - 12:54:41 PDT)
- RE: AMBER: params for cofactors Ross Walker (Mon Aug 29 2005 - 13:10:55 PDT)
- Re: AMBER: params for cofactors Michael Dolan (Mon Aug 29 2005 - 13:23:10 PDT)
AMBER: anwar.cdfd.org.in (Mon Aug 29 2005 - 20:59:49 PDT)
AMBER: floating point exception anwar.cdfd.org.in (Mon Aug 29 2005 - 21:00:31 PDT)
- AMBER: floating point exception anwar.cdfd.org.in (Tue Aug 30 2005 - 19:27:47 PDT)
  - RE: AMBER: floating point exception Ross Walker (Wed Aug 31 2005 - 09:51:27 PDT)
AMBER: in vacuo? Yam (Tue Aug 30 2005 - 02:53:07 PDT)
- Re: AMBER: in vacuo? blakrose.gazeta.pl (Wed Aug 31 2005 - 02:44:00 PDT)
  - AMBER: MM-PBSA and 1-4 nonbonded interactions Nelson Fonseca (Wed Aug 31 2005 - 07:55:31 PDT)
AMBER: nmode minimization and normal mode calculation Bing Xiong (Tue Aug 30 2005 - 06:53:11 PDT)
- Re: AMBER: nmode minimization and normal mode calculation David A. Case (Tue Aug 30 2005 - 07:38:14 PDT)
AMBER: Temperature regulation Monica Civera (Tue Aug 30 2005 - 07:43:26 PDT)
- Re: AMBER: Temperature regulation David A. Case (Tue Aug 30 2005 - 15:45:13 PDT)
AMBER: Lennard-Jones coeff... Pavan G (Tue Aug 30 2005 - 13:26:49 PDT)
AMBER: Re:Antechamber Raviprasad Aduri (Tue Aug 30 2005 - 16:34:33 PDT)
AMBER: disulfide bonds by "bond" or "edit -> draw" ? Benjamin Juhl (Wed Aug 31 2005 - 09:23:45 PDT)
- RE: AMBER: disulfide bonds by "bond" or "edit -> draw" ? Ross Walker (Wed Aug 31 2005 - 09:48:39 PDT)
Re: AMBER: disulfide bonds by "bond" or "edit -> draw" ? Bill Ross (Wed Aug 31 2005 - 09:57:23 PDT)
AMBER: Interpreting Amber8 Benchmark Results Nikhil Kelshikar \(nkelshik\) (Wed Aug 31 2005 - 10:07:24 PDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Ross Walker (Wed Aug 31 2005 - 13:09:20 PDT)
  - Re: AMBER: Interpreting Amber8 Benchmark Results Robert Duke (Wed Aug 31 2005 - 13:34:42 PDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Bill Ross (Wed Aug 31 2005 - 13:44:55 PDT)
  - RE: AMBER: Interpreting Amber8 Benchmark Results Ross Walker (Wed Aug 31 2005 - 14:00:55 PDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Bill Ross (Wed Aug 31 2005 - 14:29:58 PDT)
  - Re: AMBER: Interpreting Amber8 Benchmark Results Robert Duke (Wed Aug 31 2005 - 14:37:53 PDT)
AMBER: Why are some of the Lennard-Jones coeffs 0 ? Pavan G (Wed Aug 31 2005 - 10:18:28 PDT)
- Re: AMBER: Why are some of the Lennard-Jones coeffs 0 ? Thomas E. Cheatham, III (Wed Aug 31 2005 - 10:53:38 PDT)
AMBER: addles question Kevin Murphy (Wed Aug 31 2005 - 14:46:00 PDT)

Amber Archive Aug 2005 by thread