AMBER Archive (2005) - Aug 2005 By Thread

Most recent messages
216 messages sorted by: [ author ] [ date ] [ subject ]
About this archive

Starting: Mon Aug 01 2005 - 04:20:11 CDT
Ending: Wed Aug 31 2005 - 20:59:00 CDT

Re: AMBER: Modeling of a radical L Jin (Mon Aug 01 2005 - 08:50:55 CDT)

Re: AMBER: comparing md trajectories Austin B. Yongye (Wed Aug 10 2005 - 16:16:08 CDT)

AMBER: Format of atom specifiication after FIND Joseph Nachman (Tue Aug 16 2005 - 14:02:55 CDT)

Re: AMBER: questions about MG ions JIANING WANG (Mon Aug 01 2005 - 09:27:45 CDT)

AMBER: coordinated water molecules deleted when addions Ye Mei (Mon Aug 01 2005 - 04:20:11 CDT)
- Re: AMBER: coordinated water molecules deleted when addions David A. Case (Mon Aug 01 2005 - 08:39:39 CDT)
- RE: AMBER: coordinated water molecules deleted when addions Ross Walker (Mon Aug 01 2005 - 12:09:17 CDT)
AMBER: ptraj help, how to enable disabled ptraj routine? opitz_at_che.udel.edu (Mon Aug 01 2005 - 10:19:20 CDT)
- Re: AMBER: ptraj help, how to enable disabled ptraj routine? Thomas E. Cheatham, III (Mon Aug 01 2005 - 15:51:27 CDT)
AMBER: antechamber problem using RESP luckyang_at_gmail.com (Mon Aug 01 2005 - 20:29:26 CDT)
AMBER: AMBER8 limitation of memory in QM/MM calculation nadtanet nunthaboot (Mon Aug 01 2005 - 21:21:59 CDT)
- RE: AMBER: AMBER8 limitation of memory in QM/MM calculation Ross Walker (Mon Aug 01 2005 - 21:52:29 CDT)
- RE: AMBER: AMBER8 limitation of memory in QM/MM calculation Ross Walker (Mon Aug 01 2005 - 21:52:32 CDT)
AMBER: strange minimalization output blakrose_at_gazeta.pl (Tue Aug 02 2005 - 09:56:38 CDT)
- RE: AMBER: strange minimalization output Ross Walker (Tue Aug 02 2005 - 10:47:59 CDT)
AMBER: Leap set head/tail question Kara Di Giorgio (Tue Aug 02 2005 - 13:01:08 CDT)
- RE: AMBER: Leap set head/tail question Rhoad, Jonathan S. (Tue Aug 02 2005 - 13:10:42 CDT)
- RE: AMBER: Leap set head/tail question Ross Walker (Tue Aug 02 2005 - 13:28:03 CDT)
  - RE: AMBER: Leap set head/tail question Ilyas Yildirim (Wed Aug 03 2005 - 16:40:23 CDT)
AMBER: Boron and Amber Kara Di Giorgio (Tue Aug 02 2005 - 15:18:46 CDT)
AMBER: bond breaking/ energetic ion vannajan_at_chiangmai.ac.th (Tue Aug 02 2005 - 21:11:16 CDT)
- RE: AMBER: bond breaking/ energetic ion Ross Walker (Tue Aug 02 2005 - 21:26:02 CDT)
AMBER: power supply crash==>boot problems Kristof Stevens (Wed Aug 03 2005 - 03:20:08 CDT)
- Re: AMBER: power supply crash==>boot problems David LeBard (Wed Aug 03 2005 - 12:20:30 CDT)
AMBER: bond parameters Gustavo Pierdominici Sottile (Wed Aug 03 2005 - 09:39:34 CDT)
- Re: AMBER: bond parameters ivan_at_mmb.pcb.ub.es (Wed Aug 03 2005 - 09:54:29 CDT)
- RE: AMBER: bond parameters Ross Walker (Wed Aug 03 2005 - 11:11:00 CDT)
AMBER: installing amber7 on 64bit cluster MURAT CETINKAYA (Wed Aug 03 2005 - 10:46:20 CDT)
- RE: AMBER: installing amber7 on 64bit cluster Zhang Bing (Wed Aug 03 2005 - 20:33:55 CDT)
- RE: AMBER: installing amber7 on 64bit cluster Ross Walker (Thu Aug 04 2005 - 01:39:22 CDT)
- RE: AMBER: installing amber7 on 64bit cluster MURAT CETINKAYA (Thu Aug 04 2005 - 10:04:47 CDT)
Re: AMBER: bond breaking/ energetic ion Bill Ross (Wed Aug 03 2005 - 12:41:36 CDT)
AMBER: Strange difference in speed between Altix (Itanium2) and Tezro (MIPS) SGI for small GB/SA run David.Maxwell_at_di.mdacc.tmc.edu (Wed Aug 03 2005 - 12:39:43 CDT)
- Re: AMBER: Strange difference in speed between Altix (Itanium2) and Tezro (MIPS) SGI for small GB/SA run Roberto Gomperts (Thu Aug 04 2005 - 06:57:12 CDT)
AMBER: Error with antechamber Joseph Fernandez (Wed Aug 03 2005 - 14:45:29 CDT)
- Re: AMBER: Error with antechamber David A. Case (Fri Aug 05 2005 - 07:26:36 CDT)
AMBER: a trivial question Linchen Gong (Thu Aug 04 2005 - 04:14:04 CDT)
- Re: AMBER: a trivial question Carlos Simmerling (Thu Aug 04 2005 - 06:28:36 CDT)
  - RE: Re: AMBER: a trivial question Linchen Gong (Fri Aug 05 2005 - 10:26:25 CDT)
AMBER: nmode Wei Chen (Thu Aug 04 2005 - 13:04:17 CDT)
- RE: AMBER: nmode Yong Duan (Thu Aug 04 2005 - 19:03:26 CDT)
  - RE: AMBER: nmode Wei Chen (Thu Aug 04 2005 - 22:07:43 CDT)
AMBER: Incorrect imaging when using Periodic Boundary Conditions in NAMD with AMBER parameters Grzegorz Jezierski (Thu Aug 04 2005 - 13:24:42 CDT)
AMBER: about salt bridges xueping (Fri Aug 05 2005 - 01:34:18 CDT)
- Re: AMBER: about salt bridges Carlos Simmerling (Fri Aug 05 2005 - 06:53:06 CDT)
AMBER: Conformational energy (QM) for parameterization yuann (Fri Aug 05 2005 - 05:09:14 CDT)
AMBER: leap question Kara Di Giorgio (Fri Aug 05 2005 - 11:38:47 CDT)
- Re: AMBER: leap question David A. Case (Fri Aug 05 2005 - 17:34:39 CDT)
  - Re: AMBER: leap question Kara Di Giorgio (Fri Aug 05 2005 - 20:56:40 CDT)
    - Re: AMBER: leap question David A. Case (Sat Aug 06 2005 - 06:33:44 CDT)
    - Re: AMBER: leap question Kara Di Giorgio (Sat Aug 06 2005 - 22:02:45 CDT)
AMBER: NMR refinement Lei Jia (Fri Aug 05 2005 - 14:50:29 CDT)
AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) Hwankyu Lee (Fri Aug 05 2005 - 22:44:07 CDT)
- Re: AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) David A. Case (Sat Aug 06 2005 - 06:26:14 CDT)
- RE: AMBER: Convert .prmtop (AMBER7/8) to old format (AMBER6) Ross Walker (Sat Aug 06 2005 - 13:47:26 CDT)
AMBER: is calculated B-factors always smaller than experimental ones? haixiao jin (Sun Aug 07 2005 - 09:57:54 CDT)
- Re: AMBER: is calculated B-factors always smaller than experimental ones? Carlos Simmerling (Sun Aug 07 2005 - 10:23:42 CDT)
  - Re: AMBER: is calculated B-factors always smaller than experimental ones? haixiao jin (Mon Aug 08 2005 - 00:33:48 CDT)
AMBER: How to calculate hydrogen bond involved with water molecules quickly? haixiao jin (Mon Aug 08 2005 - 00:07:48 CDT)
AMBER: Zymeworks job posting John Vieceli (Mon Aug 08 2005 - 12:11:42 CDT)
AMBER: RE: is calculated B-factors always smaller than experimental ones? Yong Duan (Mon Aug 08 2005 - 13:24:26 CDT)
- Re: AMBER: RE: is calculated B-factors always smaller than experimental ones? haixiao jin (Tue Aug 09 2005 - 00:47:19 CDT)
AMBER: Tutorial question and some more... blakrose_at_gazeta.pl (Tue Aug 09 2005 - 01:49:45 CDT)
- RE: AMBER: Tutorial question and some more... Ross Walker (Tue Aug 09 2005 - 14:03:01 CDT)
- Re: AMBER: Tutorial question and some more... blakrose_at_gazeta.pl (Tue Aug 09 2005 - 16:00:20 CDT)
  - Re: AMBER: Tutorial question and some more... Yam (Wed Aug 10 2005 - 02:50:54 CDT)
Re: AMBER: Tutorial question and some more... Bill Ross (Tue Aug 09 2005 - 13:30:46 CDT)
AMBER: The “crystallographic” waters should be retained or deleted? haixiao jin (Wed Aug 10 2005 - 07:35:34 CDT)
AMBER: Creating protonated cytidine residue Peter Cornish (Wed Aug 10 2005 - 09:57:17 CDT)
AMBER: replica exchange Anthony Cruz (Wed Aug 10 2005 - 13:13:41 CDT)
AMBER: ptraj command inputs opitz_at_che.udel.edu (Wed Aug 10 2005 - 17:29:34 CDT)
- Re: AMBER: ptraj command inputs Thomas E. Cheatham, III (Wed Aug 10 2005 - 17:43:31 CDT)
AMBER: group-based cutoff John Vieceli (Wed Aug 10 2005 - 19:44:56 CDT)
- RE: AMBER: group-based cutoff Ross Walker (Wed Aug 10 2005 - 20:57:35 CDT)
- Re: AMBER: group-based cutoff Thomas E. Cheatham, III (Wed Aug 10 2005 - 21:53:38 CDT)
AMBER: solvent problem blakrose_at_gazeta.pl (Thu Aug 11 2005 - 02:14:17 CDT)
AMBER: Atom type problem nag raj (Thu Aug 11 2005 - 09:18:31 CDT)
- Re: AMBER: Atom type problem Ilyas Yildirim (Thu Aug 11 2005 - 10:15:28 CDT)
- Re: AMBER: Atom type problem Ilyas Yildirim (Thu Aug 11 2005 - 11:40:12 CDT)
AMBER: molsurf: problem with calculate surface area Magne Olufsen (Fri Aug 12 2005 - 03:06:45 CDT)
AMBER: How is the origin of the grid defined?(PBSA question) JunJun Liu (Sun Aug 14 2005 - 11:35:46 CDT)
- Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Sat Aug 13 2005 - 14:40:54 CDT)
  - Re: AMBER: How is the origin of the grid defined?(PBSA question) Suxin Zheng (Tue Aug 16 2005 - 15:54:27 CDT)
    - Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Tue Aug 16 2005 - 08:46:01 CDT)
- Re: AMBER: How is the origin of the grid defined?(PBSA question) JunJun Liu (Tue Aug 23 2005 - 03:46:03 CDT)
  - Re: AMBER: How is the origin of the grid defined?(PBSA question) Ray Luo (Mon Aug 22 2005 - 20:15:48 CDT)
Purchased a New Home Anderson Bond (Mon Aug 15 2005 - 00:52:56 CDT)
AMBER: wtmol and resp Guanglei Cui (Mon Aug 15 2005 - 09:59:42 CDT)
AMBER: difference of energy in sander and nmode in amber 7 sebnem (Mon Aug 15 2005 - 16:55:24 CDT)
- Re: AMBER: difference of energy in sander and nmode in amber 7 sebnem (Wed Aug 17 2005 - 10:39:02 CDT)
- Re: AMBER: difference of energy in sander and nmode in amber 7 David A. Case (Wed Aug 17 2005 - 11:36:11 CDT)
  - Re: AMBER: difference of energy in sander and nmode in amber 7 sebnem (Wed Aug 17 2005 - 12:51:15 CDT)
    - Re: AMBER: difference of energy in sander and nmode in amber 7 David A. Case (Thu Aug 18 2005 - 09:39:55 CDT)
AMBER: AMBER on g5 10.4 w/g95 or gfortran Rachel Burdge (Tue Aug 16 2005 - 10:12:40 CDT)
- Re: AMBER: AMBER on g5 10.4 w/g95 or gfortran justin litchfield (Tue Aug 16 2005 - 11:27:26 CDT)
AMBER: min problem Gustavo Pierdominici Sottile (Tue Aug 16 2005 - 18:05:56 CDT)
- RE: AMBER: min problem Ross Walker (Fri Aug 19 2005 - 13:52:36 CDT)
AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 Ilyas Yildirim (Tue Aug 16 2005 - 20:40:11 CDT)
- Re: AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 S. Teletchéa (Wed Aug 17 2005 - 18:22:43 CDT)
  - Re: AMBER: Solution for those who have mpich problem while building the parallel version of AMBER 8 Ilyas Yildirim (Wed Aug 17 2005 - 19:04:37 CDT)
AMBER: QM/MM jojartb_at_pharm.u-szeged.hu (Wed Aug 17 2005 - 06:42:06 CDT)
- RE: AMBER: QM/MM Ross Walker (Fri Aug 19 2005 - 13:27:44 CDT)
AMBER: glycan Wei Chen (Wed Aug 17 2005 - 13:25:27 CDT)
- Re: AMBER: glycan kkirschn_at_hamilton.edu (Wed Aug 17 2005 - 14:55:35 CDT)
  - Re: AMBER: glycan Wei Chen (Wed Aug 17 2005 - 17:29:52 CDT)
AMBER: residence time of electrons/holes in DNA ioana_at_pegasus.arc.nasa.gov (Wed Aug 17 2005 - 16:48:43 CDT)
- Re: AMBER: residence time of electrons/holes in DNA David LeBard (Wed Aug 17 2005 - 18:43:47 CDT)
AMBER: Energy Comparisons Kara Di Giorgio (Wed Aug 17 2005 - 17:00:44 CDT)
- Re: AMBER: Energy Comparisons Wei Chen (Wed Aug 17 2005 - 17:24:08 CDT)
AMBER: Amber 8: all_nucleic94.lib nucleotide geometry Angela Liu (Wed Aug 17 2005 - 17:42:03 CDT)
Re: AMBER: Amber 8: all_nucleic94.lib nucleotide geometry Bill Ross (Wed Aug 17 2005 - 18:04:49 CDT)
AMBER: ew_bspline.h error khn _ (Wed Aug 17 2005 - 22:33:08 CDT)
- Re: AMBER: ew_bspline.h error Michael Crowley (Fri Aug 19 2005 - 10:54:39 CDT)
- RE: AMBER: ew_bspline.h error Ross Walker (Fri Aug 19 2005 - 13:33:57 CDT)
- RE: AMBER: ew_bspline.h error Ross Walker (Fri Aug 26 2005 - 10:03:29 CDT)
AMBER: mm_pbsa amit_at_mbu.iisc.ernet.in (Thu Aug 18 2005 - 16:04:40 CDT)
- Re: AMBER: mm_pbsa Ray Luo (Thu Aug 18 2005 - 16:43:51 CDT)
  - Re: AMBER: mm_pbsa amit_at_mbu.iisc.ernet.in (Sat Aug 20 2005 - 02:46:24 CDT)
    - Re: AMBER: mm_pbsa Ray Luo (Sun Aug 21 2005 - 13:29:41 CDT)
AMBER: parm99.dat non-bonded parameters Angela Liu (Thu Aug 18 2005 - 17:00:45 CDT)
- Re: AMBER: parm99.dat non-bonded parameters Anthony Fejes (Fri Aug 19 2005 - 11:35:36 CDT)
  - Re: AMBER: parm99.dat non-bonded parameters Angela Liu (Fri Aug 19 2005 - 12:44:03 CDT)
    - Re: AMBER: parm99.dat non-bonded parameters Anthony Fejes (Fri Aug 19 2005 - 13:18:36 CDT)
AMBER: parallel amber8 with mpi through qsnet Ye Mei (Thu Aug 18 2005 - 21:11:55 CDT)
- RE: AMBER: parallel amber8 with mpi through qsnet Ross Walker (Fri Aug 19 2005 - 13:42:40 CDT)
AMBER: How to construct a lipid bilayer nag raj (Fri Aug 19 2005 - 00:01:06 CDT)
AMBER: ptraj correlation facility Simon Whitehead (Fri Aug 19 2005 - 04:15:41 CDT)
AMBER: amber8installation cbala_at_igib.res.in (Fri Aug 19 2005 - 07:53:03 CDT)
- Re: AMBER: amber8installation Carlos Simmerling (Fri Aug 19 2005 - 07:13:24 CDT)
  - Re: AMBER: amber8installation cbala_at_igib.res.in (Fri Aug 19 2005 - 10:33:44 CDT)
AMBER: shake Gustavo Pierdominici Sottile (Fri Aug 19 2005 - 11:37:46 CDT)
- Re: AMBER: shake Carlos Simmerling (Fri Aug 19 2005 - 11:45:16 CDT)
AMBER: structures extracted from mmpbsa Lwin, ThuZar (Fri Aug 19 2005 - 18:25:44 CDT)
AMBER: minimization stuck problem blakrose_at_gazeta.pl (Sat Aug 20 2005 - 06:46:07 CDT)
- Re: AMBER: minimization stuck problem Carlos Simmerling (Sat Aug 20 2005 - 07:10:45 CDT)
  - RE: AMBER: minimization stuck problem Yong Duan (Sat Aug 20 2005 - 08:05:03 CDT)
- RE: AMBER: minimization stuck problem Ross Walker (Sat Aug 20 2005 - 13:00:11 CDT)
AMBER: minimization stuck problem blakrose_at_gazeta.pl (Sat Aug 20 2005 - 07:32:31 CDT)
AMBER: AMBER topology file format santanu chatterjee (Mon Aug 22 2005 - 04:18:18 CDT)
AMBER: Restraints kanon gemini (Mon Aug 22 2005 - 05:58:25 CDT)
Re: AMBER: Restraints Carlos Simmerling (Mon Aug 22 2005 - 07:12:26 CDT)
AMBER: minimization stuck problem blakrose_at_gazeta.pl (Mon Aug 22 2005 - 10:17:29 CDT)
- Re: AMBER: minimization stuck problem blakrose_at_gazeta.pl (Sat Aug 20 2005 - 16:11:54 CDT)
  - RE: AMBER: minimization stuck problem Ross Walker (Sun Aug 21 2005 - 15:02:09 CDT)
    - Re: AMBER: minimization stuck problem Adrian Roitberg (Sun Aug 21 2005 - 16:29:53 CDT)
- RE: AMBER: minimization stuck problem Ross Walker (Tue Aug 23 2005 - 10:22:53 CDT)
AMBER: How to deal with the problem that a molecule go out the virtual box in vaccum Li Su (Tue Aug 23 2005 - 12:37:38 CDT)
- RE: AMBER: How to deal with the problem that a molecule go out the virtual box in vaccum Ross Walker (Tue Aug 23 2005 - 23:42:52 CDT)
Bank of the West Alert online-banking-rep4958_at_bankofthewest.com (Wed Aug 24 2005 - 03:27:44 CDT)
AMBER: mm_pbsa energy decomposition error amit_at_mbu.iisc.ernet.in (Wed Aug 24 2005 - 07:06:34 CDT)
- Re: AMBER: mm_pbsa energy decomposition error David A. Case (Wed Aug 24 2005 - 08:26:49 CDT)
  - Re: AMBER: mm_pbsa energy decomposition error amit_at_mbu.iisc.ernet.in (Thu Aug 25 2005 - 06:57:18 CDT)
AMBER: essential dynamics Anthony Cruz (Wed Aug 24 2005 - 12:50:03 CDT)
- Re: AMBER: essential dynamics John Mongan (Wed Aug 24 2005 - 11:27:46 CDT)
AMBER: Replica exchange Anthony Cruz (Wed Aug 24 2005 - 12:57:42 CDT)
AMBER: a problem encountered when trying to equalibrate alanine dipeptide in explicit water Li Su (Wed Aug 24 2005 - 12:36:06 CDT)
- RE: AMBER: a problem encountered when trying to equalibrate alanine dipeptide in explicit water Ross Walker (Wed Aug 24 2005 - 12:45:59 CDT)
AMBER: ptraj efficiency justin litchfield (Wed Aug 24 2005 - 13:13:03 CDT)
- RE: AMBER: ptraj efficiency Ross Walker (Wed Aug 24 2005 - 13:29:36 CDT)
AMBER: RED II and Gaussian Raviprasad Aduri (Wed Aug 24 2005 - 21:01:46 CDT)
- Re: AMBER: RED II and Gaussian FyD (Sat Aug 27 2005 - 10:02:09 CDT)
  - Re: AMBER: RED II and Gaussian rpaduri_at_chem.wayne.edu (Sat Aug 27 2005 - 17:40:53 CDT)
AMBER: Antechamber error "Cannot successfully assign bond type for this molecule" Whitney Allen (Thu Aug 25 2005 - 11:13:11 CDT)
AMBER: PLease remove my post rpaduri_at_chem.wayne.edu (Thu Aug 25 2005 - 11:08:38 CDT)
AMBER: Add constraints over time Andrew Box (Fri Aug 26 2005 - 00:51:49 CDT)
- RE: AMBER: Add constraints over time Ross Walker (Fri Aug 26 2005 - 11:41:04 CDT)
AMBER: minimization blakrose_at_gazeta.pl (Fri Aug 26 2005 - 07:20:25 CDT)
- RE: AMBER: minimization Ross Walker (Fri Aug 26 2005 - 10:07:59 CDT)
AMBER: replica exchange Anthony Cruz (Fri Aug 26 2005 - 11:53:48 CDT)
Re: AMBER: replica exchange Carlos Simmerling (Fri Aug 26 2005 - 10:16:51 CDT)
- Re: AMBER: replica exchange Anthony Cruz (Fri Aug 26 2005 - 13:14:47 CDT)
  - AMBER: NRESPA Sergio E. Wong (Sat Aug 27 2005 - 14:12:29 CDT)
AMBER: compilation problem (Mac OS X.4) Mark H. Schofield (Fri Aug 26 2005 - 11:07:05 CDT)
Re: AMBER: Replica exchange Carlos Simmerling (Sun Aug 28 2005 - 08:16:46 CDT)
- Re: AMBER: Replica exchange Anthony Cruz (Mon Aug 29 2005 - 07:46:52 CDT)
AMBER: can I setup a simulation with restrain the COM of a group to a reference structure? bzlu_at_ucsd.edu (Sun Aug 28 2005 - 15:32:33 CDT)
AMBER: Temperature equilibration Anthony Cruz (Mon Aug 29 2005 - 07:44:04 CDT)
- RE: AMBER: Temperature equilibration Ross Walker (Mon Aug 29 2005 - 10:44:08 CDT)
  - Re: AMBER: Temperature equilibration Anthony Cruz (Mon Aug 29 2005 - 14:47:36 CDT)
AMBER: params for cofactors Michael Dolan (Mon Aug 29 2005 - 14:54:41 CDT)
- RE: AMBER: params for cofactors Ross Walker (Mon Aug 29 2005 - 15:10:55 CDT)
- Re: AMBER: params for cofactors Michael Dolan (Mon Aug 29 2005 - 15:23:10 CDT)
AMBER: floating point exception anwar_at_cdfd.org.in (Mon Aug 29 2005 - 23:00:31 CDT)
- AMBER: floating point exception anwar_at_cdfd.org.in (Tue Aug 30 2005 - 21:27:47 CDT)
  - RE: AMBER: floating point exception Ross Walker (Wed Aug 31 2005 - 11:51:27 CDT)
AMBER: anwar_at_cdfd.org.in (Mon Aug 29 2005 - 22:59:49 CDT)
AMBER: in vacuo? Yam (Tue Aug 30 2005 - 04:53:07 CDT)
- Re: AMBER: in vacuo? blakrose_at_gazeta.pl (Wed Aug 31 2005 - 04:44:00 CDT)
  - AMBER: MM-PBSA and 1-4 nonbonded interactions Nelson Fonseca (Wed Aug 31 2005 - 09:55:31 CDT)
AMBER: nmode minimization and normal mode calculation Bing Xiong (Tue Aug 30 2005 - 08:53:11 CDT)
- Re: AMBER: nmode minimization and normal mode calculation David A. Case (Tue Aug 30 2005 - 09:38:14 CDT)
AMBER: Temperature regulation Monica Civera (Tue Aug 30 2005 - 09:43:26 CDT)
- Re: AMBER: Temperature regulation David A. Case (Tue Aug 30 2005 - 17:45:13 CDT)
AMBER: Lennard-Jones coeff... Pavan G (Tue Aug 30 2005 - 15:26:49 CDT)
AMBER: Re:Antechamber Raviprasad Aduri (Tue Aug 30 2005 - 18:34:33 CDT)
AMBER: disulfide bonds by "bond" or "edit -> draw" ? Benjamin Juhl (Wed Aug 31 2005 - 11:23:45 CDT)
- RE: AMBER: disulfide bonds by "bond" or "edit -> draw" ? Ross Walker (Wed Aug 31 2005 - 11:48:39 CDT)
Re: AMBER: disulfide bonds by "bond" or "edit -> draw" ? Bill Ross (Wed Aug 31 2005 - 11:57:23 CDT)
AMBER: Interpreting Amber8 Benchmark Results Nikhil Kelshikar \(nkelshik\) (Wed Aug 31 2005 - 12:07:24 CDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Ross Walker (Wed Aug 31 2005 - 15:09:20 CDT)
  - Re: AMBER: Interpreting Amber8 Benchmark Results Robert Duke (Wed Aug 31 2005 - 15:34:42 CDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Bill Ross (Wed Aug 31 2005 - 15:44:55 CDT)
  - RE: AMBER: Interpreting Amber8 Benchmark Results Ross Walker (Wed Aug 31 2005 - 16:00:55 CDT)
- RE: AMBER: Interpreting Amber8 Benchmark Results Bill Ross (Wed Aug 31 2005 - 16:29:58 CDT)
  - Re: AMBER: Interpreting Amber8 Benchmark Results Robert Duke (Wed Aug 31 2005 - 16:37:53 CDT)
AMBER: Why are some of the Lennard-Jones coeffs 0 ? Pavan G (Wed Aug 31 2005 - 12:18:28 CDT)
- Re: AMBER: Why are some of the Lennard-Jones coeffs 0 ? Thomas E. Cheatham, III (Wed Aug 31 2005 - 12:53:38 CDT)
AMBER: addles question Kevin Murphy (Wed Aug 31 2005 - 16:46:00 CDT)
- AMBER: broblem of replica exchange MD with polarizable force field wenfei Li (Wed Aug 31 2005 - 19:51:32 CDT)
AMBER: Opinion needed-Solvents chaiann ng (Wed Aug 31 2005 - 20:59:00 CDT)

Last message date: Sat Dec 31 2005 - 12:51:27 CST
Archived on: Sat Dec 31 2005 - 12:51:45 CST

216 messages sorted by: [ author ] [ date ] [ subject ]
About this archive