AMBER Archive (2005) - Aug 2005 By Author

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

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

Last message date: Sat Dec 31 2005 - 12:51:27 CST
Archived on: Sat Dec 31 2005 - 12:51:46 CST