Amber Archive Feb 2005: By Thread

AMBER: amber8 in IBM-SP4 Jiten (Mon Jan 31 2005 - 19:32:28 PST)
AMBER: N Metyl amino acids Andrew Box (Mon Jan 31 2005 - 21:14:47 PST)
- Re: AMBER: N Metyl amino acids Carlos Simmerling (Tue Feb 01 2005 - 04:47:30 PST)
AMBER: vacuum bubbles in system equilibration Marie-Pierre Durrieu (Tue Feb 01 2005 - 02:56:21 PST)
Re: AMBER: Problem in ptraj anshul.imtech.res.in (Tue Feb 01 2005 - 14:26:48 PST)
- Re: AMBER: Problem in ptraj Furse, Kristina Elisabet (Tue Feb 01 2005 - 11:30:53 PST)
  - Re: AMBER: Problem in ptraj anshul.imtech.res.in (Wed Feb 02 2005 - 14:04:28 PST)
    - Re: AMBER: Problem in ptraj Thomas E. Cheatham, III (Wed Feb 02 2005 - 10:34:01 PST)
- Re: AMBER: Problem in ptraj Furse, Kristina Elisabet (Wed Feb 02 2005 - 10:16:03 PST)
AMBER: Carnal in Amber8 Vlad Cojocaru (Tue Feb 01 2005 - 08:11:09 PST)
- Re: AMBER: Carnal in Amber8 David A. Case (Tue Feb 01 2005 - 09:27:25 PST)
- Re: AMBER: Carnal in Amber8 Bill Ross (Tue Feb 01 2005 - 11:57:19 PST)
AMBER: Multiple dihedral restraints Joseph Fernandez (Tue Feb 01 2005 - 09:29:40 PST)
- Re: AMBER: Multiple dihedral restraints David A. Case (Tue Feb 01 2005 - 14:54:49 PST)
  - AMBER: Multiple dihedral restraints (follow up) Joseph Fernandez (Wed Feb 02 2005 - 10:11:01 PST)
    - Re: AMBER: Multiple dihedral restraints (follow up) David A. Case (Wed Feb 02 2005 - 11:04:47 PST)
    - AMBER: non-periodic condition gsciaini (Thu Feb 03 2005 - 08:40:46 PST)
    - RE: AMBER: non-periodic condition Ross Walker (Thu Feb 03 2005 - 10:27:30 PST)
    - RE: AMBER: non-periodic condition Germán Sciaini (Thu Feb 03 2005 - 12:42:34 PST)
    - AMBER: dppsv returns error code: 29 Xiaowei (David) Li (Fri Feb 04 2005 - 09:58:56 PST)
    - Re: AMBER: dppsv returns error code: 29 David A. Case (Fri Feb 04 2005 - 14:48:38 PST)
    - Re: AMBER: Multiple dihedral restraints (follow up) M. L. Dodson (Thu Feb 03 2005 - 12:07:11 PST)
AMBER: Redhat Enterprise Linux Beale, John (Tue Feb 01 2005 - 09:49:20 PST)
- RE: AMBER: Redhat Enterprise Linux S. Frank Yan (Tue Feb 01 2005 - 09:57:00 PST)
- RE: AMBER: Redhat Enterprise Linux Andrew Box (Tue Feb 01 2005 - 15:37:55 PST)
- RE: AMBER: Redhat Enterprise Linux Beale, John (Wed Feb 02 2005 - 10:01:53 PST)
Re: AMBER: Carnal in Amber8 Bill Ross (Tue Feb 01 2005 - 11:47:15 PST)
AMBER: doubts with a new aminoacid Gustavo Pierdominici Sottile (Tue Feb 01 2005 - 12:28:52 PST)
- Re: AMBER: doubts with a new aminoacid David A. Case (Tue Feb 01 2005 - 15:35:36 PST)
- Re: AMBER: doubts with a new aminoacid Bill Ross (Tue Feb 01 2005 - 16:36:38 PST)
AMBER: External Electric Field Brandon Tefft (Tue Feb 01 2005 - 13:30:22 PST)
- Re: AMBER: External Electric Field David A. Case (Wed Feb 02 2005 - 10:08:59 PST)
AMBER: sander segmentation fault Xin Wang (Tue Feb 01 2005 - 14:15:12 PST)
- Re: AMBER: sander segmentation fault David A. Case (Wed Feb 02 2005 - 11:28:37 PST)
  - Re: AMBER: sander segmentation fault Xin Wang (Wed Feb 02 2005 - 13:36:25 PST)
    - Re: AMBER: sander segmentation fault David A. Case (Wed Feb 02 2005 - 14:39:06 PST)
- Re: AMBER: sander segmentation fault Furse, Kristina Elisabet (Wed Feb 02 2005 - 15:32:25 PST)
  - Re: AMBER: sander segmentation fault Thomas E. Cheatham, III (Wed Feb 02 2005 - 15:59:13 PST)
  - RE: AMBER: sander segmentation fault Ross Walker (Wed Feb 02 2005 - 18:05:41 PST)
RE: AMBER: gaussian output file Junmei Wang (Tue Feb 01 2005 - 15:03:22 PST)
AMBER: xleap: different distance results from "check" command in xleap Woojin Lee (Tue Feb 01 2005 - 21:54:14 PST)
AMBER: Compilation problem at dual processor linux ! Pradipta Bandyopadhyay (Wed Feb 02 2005 - 04:32:52 PST)
- RE: AMBER: Compilation problem at dual processor linux ! Ross Walker (Wed Feb 02 2005 - 09:52:10 PST)
AMBER: change of prmtop file Gustavo Pierdominici Sottile (Wed Feb 02 2005 - 07:43:34 PST)
- Re: AMBER: change of prmtop file Guanglei Cui (Wed Feb 02 2005 - 10:03:53 PST)
- Re: AMBER: change of prmtop file David A. Case (Wed Feb 02 2005 - 10:21:34 PST)
AMBER: xleap MOVE and .lib file Stern, Julie (Wed Feb 02 2005 - 09:01:55 PST)
AMBER: amber 8 system requirements dkohen.carleton.edu (Wed Feb 02 2005 - 10:28:48 PST)
- RE: AMBER: amber 8 system requirements Ross Walker (Wed Feb 02 2005 - 10:47:55 PST)
AMBER: gaff frcmod file for TI calculation Eric Hu (Wed Feb 02 2005 - 15:50:00 PST)
- Re: AMBER: gaff frcmod file for TI calculation David A. Case (Wed Feb 02 2005 - 16:44:13 PST)
  - Re: AMBER: gaff frcmod file for TI calculation Eric Hu (Wed Feb 02 2005 - 17:47:32 PST)
AMBER: question about tleap load pdb file xiaowen (Wed Feb 02 2005 - 19:19:19 PST)
AMBER: protonate and input conversion error Stern, Julie (Thu Feb 03 2005 - 08:48:20 PST)
- Re: AMBER: protonate and input conversion error David A. Case (Thu Feb 03 2005 - 10:09:31 PST)
AMBER: DNA melting free energy calculation lei jia (Thu Feb 03 2005 - 16:39:57 PST)
AMBER: unnatural ligand Eric Hu (Thu Feb 03 2005 - 19:37:41 PST)
- Re: AMBER: unnatural ligand David A. Case (Fri Feb 04 2005 - 14:54:06 PST)
  - Re: AMBER: unnatural ligand Eric Hu (Mon Feb 07 2005 - 10:28:14 PST)
    - AMBER: Creating an input file for GRASP using AMBER 8 Ilyas Yildirim (Mon Feb 07 2005 - 11:07:29 PST)
    - Re: AMBER: Creating an input file for GRASP using AMBER 8 FyD (Mon Feb 07 2005 - 11:52:42 PST)
AMBER: clusters Germán Sciaini (Fri Feb 04 2005 - 04:36:48 PST)
AMBER: tleap load pdb file xiaowen (Fri Feb 04 2005 - 07:44:17 PST)
- Re: AMBER: tleap load pdb file David A. Case (Fri Feb 04 2005 - 08:35:49 PST)
AMBER: tleap load pdb file xiaowen (Fri Feb 04 2005 - 13:18:09 PST)
- Re: AMBER: tleap load pdb file David A. Case (Fri Feb 04 2005 - 14:45:50 PST)
- Re: AMBER: tleap load pdb file xiaowen (Sat Feb 05 2005 - 09:20:12 PST)
- RE: AMBER: tleap load pdb file Ross Walker (Sun Feb 06 2005 - 10:50:29 PST)
- RE: AMBER: tleap load pdb file xiaowen (Mon Feb 07 2005 - 12:58:39 PST)
- RE: AMBER: tleap load pdb file xiaowen (Mon Feb 07 2005 - 19:52:36 PST)
  - Re: AMBER: tleap load pdb file David A. Case (Tue Feb 08 2005 - 11:50:08 PST)
- Re: AMBER: tleap load pdb file xiaowen (Wed Feb 09 2005 - 10:51:44 PST)
  - RE: AMBER: tleap load pdb file Ross Walker (Wed Feb 09 2005 - 11:18:31 PST)
AMBER: Antechamber/formatting question Kara Di Giorgio (Fri Feb 04 2005 - 15:05:18 PST)
- Re: AMBER: Antechamber/formatting question David A. Case (Sat Feb 05 2005 - 11:17:24 PST)
  - Re: AMBER: Antechamber/formatting question Kara Di Giorgio (Fri Feb 18 2005 - 10:20:40 PST)
    - Re: AMBER: Antechamber/formatting question YoungJin Cho (Mon Feb 21 2005 - 08:15:32 PST)
    - Re: AMBER: Antechamber/formatting question Kara Di Giorgio (Fri Feb 25 2005 - 16:43:36 PST)
    - Re: AMBER: Antechamber/formatting question Ilyas Yildirim (Fri Feb 25 2005 - 17:31:46 PST)
    - Re: AMBER: Antechamber/formatting question Kara Di Giorgio (Fri Feb 25 2005 - 18:02:40 PST)
    - RE: AMBER: Antechamber/formatting question Ross Walker (Sun Feb 27 2005 - 11:56:18 PST)
    - Re: AMBER: Antechamber/formatting question Kara Di Giorgio (Sun Feb 27 2005 - 17:13:19 PST)
    - Re: AMBER: Antechamber/formatting question FyD (Sun Feb 27 2005 - 20:12:37 PST)
    - Re: AMBER: Antechamber/formatting question FyD (Sun Feb 27 2005 - 20:43:23 PST)
    - AMBER: vlimit problem Ilyas Yildirim (Fri Feb 25 2005 - 17:45:03 PST)
    - Re: AMBER: vlimit problem David A. Case (Mon Feb 28 2005 - 09:40:26 PST)
- AMBER: Dynamics error S.Sundar Raman (Tue Feb 08 2005 - 03:25:07 PST)
  - Re: AMBER: Dynamics error Carlos Simmerling (Tue Feb 08 2005 - 04:59:04 PST)
    - Re: AMBER: Dynamics error S.Sundar Raman (Tue Feb 08 2005 - 06:09:04 PST)
AMBER: huge bond distances in new residue Stern, Julie (Fri Feb 04 2005 - 15:48:14 PST)
- Re: AMBER: huge bond distances in new residue David A. Case (Sat Feb 05 2005 - 10:57:37 PST)
AMBER: trajectory of minimization Stern, Julie (Fri Feb 04 2005 - 15:49:17 PST)
- Re: AMBER: trajectory of minimization David A. Case (Sat Feb 05 2005 - 10:54:39 PST)
- RE: AMBER: trajectory of minimization Ross Walker (Sun Feb 06 2005 - 10:36:29 PST)
AMBER: Is droplet boundary condition option possible ? Soo (Fri Feb 04 2005 - 22:18:36 PST)
- Re: AMBER: Is droplet boundary condition option possible ? David A. Case (Sat Feb 05 2005 - 10:53:53 PST)
AMBER: loading pdb in leap to create parmeter files mrbroad.ilstu.edu (Sat Feb 05 2005 - 13:24:04 PST)
- Re: AMBER: loading pdb in leap to create parmeter files David A. Case (Sat Feb 05 2005 - 14:29:13 PST)
AMBER: Tutorial Request Kara Di Giorgio (Sun Feb 06 2005 - 09:01:15 PST)
- Re: AMBER: Tutorial Request David A. Case (Sun Feb 06 2005 - 09:40:28 PST)
AMBER: inconsistent ordering in an improper dihedral of TRP Sanghyun Park (Sun Feb 06 2005 - 20:38:03 PST)
- Re: AMBER: inconsistent ordering in an improper dihedral of TRP David A. Case (Fri Feb 11 2005 - 14:19:03 PST)
  - Re: AMBER: inconsistent ordering in an improper dihedral of TRP Carlos Simmerling (Fri Feb 11 2005 - 15:41:26 PST)
    - AMBER: nucgen problem Ilyas Yildirim (Fri Feb 11 2005 - 16:56:41 PST)
    - Re: AMBER: nucgen problem David A. Case (Fri Feb 11 2005 - 17:37:32 PST)
- Re: AMBER: inconsistent ordering in an improper dihedral of TRP Bill Ross (Fri Feb 11 2005 - 17:56:10 PST)
AMBER: correlation along PCA modes Vlad Cojocaru (Mon Feb 07 2005 - 03:35:44 PST)
Re: AMBER: Creating an input file for GRASP using AMBER 8 Bill Ross (Mon Feb 07 2005 - 11:40:33 PST)
- Re: AMBER: Creating an input file for GRASP using AMBER 8 Ilyas Yildirim (Mon Feb 07 2005 - 14:24:24 PST)
  - Re: AMBER: Creating an input file for GRASP using AMBER 8 FyD (Mon Feb 07 2005 - 14:45:05 PST)
AMBER: problem in writing Gustavo Pierdominici Sottile (Mon Feb 07 2005 - 11:59:49 PST)
- Re: AMBER: problem in writing David A. Case (Mon Feb 07 2005 - 15:22:05 PST)
AMBER: How to calculate RESTRAINT value Mayumi Haga (Mon Feb 07 2005 - 20:09:25 PST)
- Re: AMBER: How to calculate RESTRAINT value Carlos Simmerling (Tue Feb 08 2005 - 05:01:46 PST)
AMBER: dynamics error S.Sundar Raman (Tue Feb 08 2005 - 03:10:19 PST)
AMBER: MMGBSA and dielectric constant with AMBER8 - dielc and intdiel Fabien Cailliez (Tue Feb 08 2005 - 09:16:51 PST)
- Re: AMBER: MMGBSA and dielectric constant with AMBER8 - dielc and intdiel David A. Case (Tue Feb 08 2005 - 11:28:23 PST)
AMBER: problem in minimization Gustavo Pierdominici Sottile (Tue Feb 08 2005 - 10:31:17 PST)
- Re: AMBER: problem in minimization David A. Case (Tue Feb 08 2005 - 11:51:42 PST)
  - Re: AMBER: problem in minimization Natasja Brooijmans (Tue Feb 08 2005 - 11:56:22 PST)
- Re: AMBER: problem in minimization Bill Ross (Tue Feb 08 2005 - 12:16:18 PST)
  - Re: AMBER: problem in minimization Carlos Simmerling (Tue Feb 08 2005 - 13:47:30 PST)
    - Re: AMBER: problem in minimization David A. Case (Tue Feb 08 2005 - 14:23:51 PST)
- Re: AMBER: problem in minimization Bill Ross (Tue Feb 08 2005 - 14:16:47 PST)
AMBER: Minimization Beale, John (Tue Feb 08 2005 - 11:30:52 PST)
AMBER: Linux Enterprise Beale, John (Tue Feb 08 2005 - 11:39:54 PST)
- RE: AMBER: Linux Enterprise S. Frank Yan (Tue Feb 08 2005 - 11:45:40 PST)
- Re: AMBER: Linux Enterprise David A. Case (Tue Feb 08 2005 - 11:59:15 PST)
- RE: AMBER: Linux Enterprise Ross Walker (Tue Feb 08 2005 - 11:59:43 PST)
AMBER: Amber8 installation test possible failures Joe Nolan (Tue Feb 08 2005 - 11:55:39 PST)
- Re: AMBER: Amber8 installation test possible failures David A. Case (Tue Feb 08 2005 - 12:02:54 PST)
- RE: AMBER: Amber8 installation test possible failures Ross Walker (Tue Feb 08 2005 - 12:17:40 PST)
AMBER: leap bond angle building Stern, Julie (Tue Feb 08 2005 - 15:44:39 PST)
Re: AMBER: leap bond angle building Bill Ross (Tue Feb 08 2005 - 16:00:12 PST)
AMBER: minimize a ptraj average pdb structure Eric Hu (Tue Feb 08 2005 - 17:48:26 PST)
- RE: AMBER: minimize a ptraj average pdb structure Vineet Pande (Wed Feb 09 2005 - 02:05:14 PST)
- RE: AMBER: minimize a ptraj average pdb structure Bill Ross (Wed Feb 09 2005 - 11:39:27 PST)
AMBER: energy plot in minimization Gustavo Pierdominici Sottile (Wed Feb 09 2005 - 09:36:25 PST)
- RE: AMBER: energy plot in minimization Ross Walker (Wed Feb 09 2005 - 10:10:13 PST)
AMBER: stereo Filip Lankas (Wed Feb 09 2005 - 09:53:45 PST)
- RE: AMBER: stereo Vineet Pande (Wed Feb 09 2005 - 10:51:06 PST)
- Re: AMBER: stereo Chris Moth (Wed Feb 09 2005 - 12:02:13 PST)
AMBER: question about mm_gbsa output file michael chen (Wed Feb 09 2005 - 10:10:06 PST)
AMBER: Convert to Pdb Beale, John (Wed Feb 09 2005 - 11:03:27 PST)
- Re: AMBER: Convert to Pdb Peter Gannett (Wed Feb 09 2005 - 11:07:07 PST)
- RE: AMBER: Convert to Pdb Ross Walker (Wed Feb 09 2005 - 11:19:15 PST)
- Re: AMBER: Convert to Pdb M. L. Dodson (Wed Feb 09 2005 - 11:28:22 PST)
AMBER: minimization.out Gustavo Pierdominici Sottile (Wed Feb 09 2005 - 11:32:01 PST)
- Re: AMBER: minimization.out David A. Case (Wed Feb 09 2005 - 11:53:41 PST)
AMBER: DIVCON optimization Kara Di Giorgio (Wed Feb 09 2005 - 11:46:03 PST)
- Re: AMBER: DIVCON optimization David A. Case (Wed Feb 09 2005 - 12:22:59 PST)
  - Re: AMBER: DIVCON optimization Kara Wald (Wed Feb 09 2005 - 15:30:07 PST)
    - Re: AMBER: DIVCON optimization David A. Case (Wed Feb 09 2005 - 18:22:07 PST)
AMBER: Can REM be used as multiple normal sander jobs on parallel machine qlu.notes.cc.sunysb.edu (Wed Feb 09 2005 - 15:15:59 PST)
- Re: AMBER: Can REM be used as multiple normal sander jobs on parallel machine Carlos Simmerling (Wed Feb 09 2005 - 16:03:55 PST)
AMBER: desc NEWRES and blank unit type Stern, Julie (Wed Feb 09 2005 - 18:07:00 PST)
- Re: AMBER: desc NEWRES and blank unit type David A. Case (Fri Feb 11 2005 - 14:24:25 PST)
AMBER: question about surface area to GBsurf calculation michael chen (Wed Feb 09 2005 - 22:20:58 PST)
- Re: AMBER: question about surface area to GBsurf calculation David A. Case (Thu Feb 10 2005 - 07:55:33 PST)
AMBER: Another question about surface area calculation michael chen (Wed Feb 09 2005 - 22:26:00 PST)
AMBER: Poisson Boltzmann dynamics error Rachel Burdge (Thu Feb 10 2005 - 08:04:55 PST)
- Re: AMBER: Poisson Boltzmann dynamics error David A. Case (Thu Feb 10 2005 - 08:57:51 PST)
- RE: AMBER: Poisson Boltzmann dynamics error Ross Walker (Thu Feb 10 2005 - 09:03:46 PST)
- Re: AMBER: Poisson Boltzmann dynamics error Ray Luo (Tue Feb 08 2005 - 04:13:58 PST)
  - Re: AMBER: Poisson Boltzmann dynamics error Rachel Burdge (Thu Feb 10 2005 - 10:51:05 PST)
AMBER: Protonate state of ARG and LYS. Liu, Jingyuan (Thu Feb 10 2005 - 13:56:39 PST)
AMBER: How to converts a binary mdcrd file thanyarat Udom (Thu Feb 10 2005 - 23:02:21 PST)
AMBER: How to converts a binary mdcrd file thanyarat Udom (Fri Feb 11 2005 - 00:00:10 PST)
AMBER: Cu++ and RED Cenk Andac (Fri Feb 11 2005 - 01:46:13 PST)
- Re: AMBER: Cu++ and RED FyD (Fri Feb 11 2005 - 09:23:53 PST)
  - Re: AMBER: Cu++ and RED Cenk Andac (Mon Feb 14 2005 - 21:30:47 PST)
    - Re: AMBER: Cu++ and RED FyD (Tue Feb 15 2005 - 10:19:16 PST)
AMBER: too much vacuum in the box created by Leap Marie-Pierre Durrieu (Fri Feb 11 2005 - 04:53:35 PST)
- Re: AMBER: too much vacuum in the box created by Leap Carlos Simmerling (Fri Feb 11 2005 - 05:21:23 PST)
- Re: AMBER: too much vacuum in the box created by Leap David A. Case (Fri Feb 11 2005 - 08:21:29 PST)
AMBER: ptraj error and min problems Gustavo Pierdominici Sottile (Fri Feb 11 2005 - 06:54:23 PST)
- Re: AMBER: ptraj error and min problems David A. Case (Fri Feb 11 2005 - 08:29:42 PST)
AMBER: archive Gustavo Pierdominici Sottile (Fri Feb 11 2005 - 06:58:33 PST)
AMBER: reverse TI charge perturbation Eric Hu (Fri Feb 11 2005 - 17:59:10 PST)
- Re: AMBER: reverse TI charge perturbation David A. Case (Sat Feb 12 2005 - 16:14:58 PST)
  - Re: AMBER: reverse TI charge perturbation Eric Hu (Mon Feb 14 2005 - 16:42:14 PST)
AMBER: S.Sundar Raman (Mon Feb 14 2005 - 01:03:27 PST)
- RE: AMBER: Ross Walker (Mon Feb 14 2005 - 09:03:52 PST)
AMBER:how to analyse trajectory files S.Sundar Raman (Mon Feb 14 2005 - 01:17:39 PST)
- RE: AMBER:how to analyse trajectory files Vineet Pande (Mon Feb 14 2005 - 03:07:21 PST)
  - Re: AMBER:how to analyse trajectory files S.Sundar Raman (Mon Feb 14 2005 - 20:58:19 PST)
AMBER: vlimit Gustavo Pierdominici Sottile (Mon Feb 14 2005 - 04:23:31 PST)
- RE: AMBER: vlimit Ross Walker (Mon Feb 14 2005 - 09:14:56 PST)
AMBER: AMBER 8 : Water cap problem Guillaume Bollot (Mon Feb 14 2005 - 05:14:20 PST)
- RE: AMBER: AMBER 8 : Water cap problem Ross Walker (Mon Feb 14 2005 - 09:07:21 PST)
AMBER: constrains Gustavo Pierdominici Sottile (Mon Feb 14 2005 - 06:53:18 PST)
- RE: AMBER: constrains Vineet Pande (Mon Feb 14 2005 - 07:48:39 PST)
- RE: AMBER: constrains Ross Walker (Mon Feb 14 2005 - 09:10:42 PST)
AMBER: Restart Problem opitz.che.udel.edu (Mon Feb 14 2005 - 11:12:54 PST)
- RE: AMBER: Restart Problem Ross Walker (Mon Feb 14 2005 - 12:01:16 PST)
AMBER: Mainchain example needed Kara Wald (Mon Feb 14 2005 - 13:43:06 PST)
AMBER: running shell scripts in tleap? Cenk Andac (Mon Feb 14 2005 - 14:23:44 PST)
- Re: AMBER: running shell scripts in tleap? Lihua Wang (Mon Feb 14 2005 - 15:26:31 PST)
- RE: AMBER: running shell scripts in tleap? Ross Walker (Mon Feb 14 2005 - 15:31:03 PST)
  - RE: AMBER: running shell scripts in tleap? Cenk Andac (Mon Feb 14 2005 - 21:24:44 PST)
- Re: AMBER: running shell scripts in tleap? John Bushnell (Mon Feb 14 2005 - 15:32:32 PST)
- AMBER: Dummy Atom Types on both states Ilyas Yildirim (Mon Feb 14 2005 - 18:29:03 PST)
  - Re: AMBER: Dummy Atom Types on both states Thomas Steinbrecher (Tue Feb 15 2005 - 01:04:06 PST)
    - Re: AMBER: Dummy Atom Types on both states yipinl.umich.edu (Tue Feb 15 2005 - 07:31:56 PST)
    - Re: AMBER: Dummy Atom Types on both states Julien Michel (Tue Feb 15 2005 - 08:10:34 PST)
    - Re: AMBER: Dummy Atom Types on both states david.evans.ulsop.ac.uk (Tue Feb 15 2005 - 09:29:39 PST)
    - Re: AMBER: Dummy Atom Types on both states david.evans.ulsop.ac.uk (Tue Feb 15 2005 - 10:13:57 PST)
    - Re: AMBER: Dummy Atom Types on both states David A. Case (Tue Feb 15 2005 - 14:26:21 PST)
    - AMBER: soft-cores and Amber David A. Case (Tue Feb 15 2005 - 14:55:30 PST)
    - Re: AMBER: soft-cores and Amber Carlos Simmerling (Tue Feb 15 2005 - 15:11:14 PST)
AMBER: Topology Format Amber 8 Stuart Murdock (Tue Feb 15 2005 - 04:00:56 PST)
- Re: AMBER: Topology Format Amber 8 Carlos Simmerling (Tue Feb 15 2005 - 04:42:29 PST)
- Re: AMBER: Topology Format Amber 8 Ian Withers (Tue Feb 15 2005 - 05:33:15 PST)
AMBER: problems with running sander in parallel on linux Piotr Cieplak (Tue Feb 15 2005 - 10:28:02 PST)
- RE: AMBER: problems with running sander in parallel on linux Ross Walker (Tue Feb 15 2005 - 10:50:53 PST)
  - Re: AMBER: problems with running sander in parallel on linux Robert Duke (Tue Feb 15 2005 - 11:43:37 PST)
    - Re: AMBER: problems with running sander in parallel on linux Scott Brozell (Tue Feb 15 2005 - 13:01:21 PST)
    - Re: AMBER: problems with running sander in parallel on linux Robert Duke (Tue Feb 15 2005 - 13:25:52 PST)
    - Re: AMBER: problems with running sander in parallel on linux Scott Brozell (Tue Feb 15 2005 - 14:02:56 PST)
    - Re: AMBER: problems with running sander in parallel on linux Piotr Cieplak (Tue Feb 15 2005 - 13:58:09 PST)
- RE: AMBER: problems with running sander in parallel on linux Piotr Cieplak (Tue Feb 15 2005 - 11:01:15 PST)
- Re: AMBER: problems with running sander in parallel on linux Scott Brozell (Tue Feb 15 2005 - 11:42:45 PST)
  - Re: AMBER: problems with running sander in parallel on linux Piotr Cieplak (Tue Feb 15 2005 - 12:55:59 PST)
- Re: AMBER: problems with running sander in parallel on linux David E. Konerding DSD staff (Tue Feb 15 2005 - 12:48:50 PST)
AMBER: blows up Gustavo Pierdominici Sottile (Tue Feb 15 2005 - 11:11:43 PST)
AMBER: check in leap Gustavo Pierdominici Sottile (Tue Feb 15 2005 - 11:34:21 PST)
- Re: AMBER: check in leap David A. Case (Tue Feb 15 2005 - 13:17:07 PST)
AMBER: Cyclic peptide arubin.unmc.edu (Tue Feb 15 2005 - 13:12:28 PST)
- Re: AMBER: Cyclic peptide Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Wed Feb 16 2005 - 01:48:19 PST)
  - Re: AMBER: Cyclic peptide Carlos Simmerling (Wed Feb 16 2005 - 05:00:29 PST)
AMBER: PDB conversion to gzmat using antechamber Scott Pendley (Tue Feb 15 2005 - 15:32:21 PST)
- Re: AMBER: PDB conversion to gzmat using antechamber David A. Case (Mon Feb 28 2005 - 10:02:58 PST)
AMBER: EWALD and belly not strictly correct Stern, Julie (Tue Feb 15 2005 - 21:41:49 PST)
- Re: AMBER: EWALD and belly not strictly correct darden (Wed Feb 16 2005 - 09:08:31 PST)
- Re: AMBER: EWALD and belly not strictly correct David A. Case (Wed Feb 16 2005 - 08:52:20 PST)
AMBER: Why I couldnt used carnal for analyzed RMSD ? thanyarat Udom (Wed Feb 16 2005 - 01:28:17 PST)
AMBER: Gustavo Pierdominici Sottile (Wed Feb 16 2005 - 04:22:59 PST)
- Re: AMBER: Carlos Simmerling (Wed Feb 16 2005 - 04:55:57 PST)
AMBER: rms Gustavo Pierdominici Sottile (Wed Feb 16 2005 - 05:14:50 PST)
- Re: AMBER: rms Carlos Simmerling (Wed Feb 16 2005 - 05:59:43 PST)
AMBER: Beale, John (Wed Feb 16 2005 - 05:42:26 PST)
- Re: AMBER: David A. Case (Wed Feb 16 2005 - 08:49:18 PST)
AMBER: Phi-Psi-Energy plot L Jin (Wed Feb 16 2005 - 07:45:18 PST)
AMBER: generate charmm paramater file from amber parm file HL Eastwood (Wed Feb 16 2005 - 09:19:56 PST)
- Re: AMBER: generate charmm paramater file from amber parm file david.evans.ulsop.ac.uk (Wed Feb 16 2005 - 10:02:07 PST)
- Re: AMBER: generate charmm paramater file from amber parm file David E. Konerding DSD staff (Wed Feb 16 2005 - 10:13:23 PST)
Re: AMBER: Why I couldnt used carnal for analyzed RMSD ? Bill Ross (Wed Feb 16 2005 - 10:19:30 PST)
AMBER: Amber7 nmropt Markus W. Germann (Wed Feb 16 2005 - 13:09:08 PST)
- RE: AMBER: Amber7 nmropt Ross Walker (Wed Feb 16 2005 - 13:32:05 PST)
  - Re: AMBER: Amber7 nmropt Markus W. Germann (Wed Feb 16 2005 - 13:40:46 PST)
    - RE: AMBER: Amber7 nmropt Ross Walker (Wed Feb 16 2005 - 13:55:40 PST)
- Re: AMBER: Amber7 nmropt David A. Case (Wed Feb 16 2005 - 13:53:19 PST)
  - Re: AMBER: Amber7 nmropt Robert Duke (Wed Feb 16 2005 - 15:05:37 PST)
AMBER: installation of amber 8 on windows anshul.imtech.res.in (Thu Feb 17 2005 - 12:17:11 PST)
- Re: AMBER: installation of amber 8 on windows David Mathews (Thu Feb 17 2005 - 08:42:05 PST)
  - Re: AMBER: installation of amber 8 on windows anshul.imtech.res.in (Fri Feb 18 2005 - 06:33:40 PST)
- Re: AMBER: installation of amber 8 on windows David Mathews (Sat Feb 19 2005 - 08:01:54 PST)
AMBER: Re: pmemd problems Robert Duke (Thu Feb 17 2005 - 07:15:33 PST)
AMBER: rotameric populations? Cenk Andac (Thu Feb 17 2005 - 07:15:05 PST)
AMBER: moil-view Beale, John (Thu Feb 17 2005 - 07:56:30 PST)
- Re: AMBER: moil-view Carlos Simmerling (Thu Feb 17 2005 - 08:28:15 PST)
AMBER: Antechamber help needed Kara Di Giorgio (Thu Feb 17 2005 - 09:24:34 PST)
AMBER: Moil view trajectory clusters Austin B. Yongye (Thu Feb 17 2005 - 09:36:15 PST)
- Re: AMBER: Moil view trajectory clusters Carlos Simmerling (Thu Feb 17 2005 - 10:19:50 PST)
  - Re: AMBER: Moil view trajectory clusters Austin B. Yongye (Thu Feb 17 2005 - 13:31:37 PST)
AMBER: problem with ptraj and randomizeions Fabien Cailliez (Thu Feb 17 2005 - 09:56:24 PST)
- Re: AMBER: problem with ptraj and randomizeions Thomas E. Cheatham, III (Thu Feb 17 2005 - 10:57:23 PST)
  - Re: AMBER: problem with ptraj and randomizeions Fabien Cailliez (Fri Feb 18 2005 - 00:50:00 PST)
    - Re: AMBER: problem with ptraj and randomizeions Filip Lankas (Fri Feb 18 2005 - 04:19:10 PST)
- Re: AMBER: problem with ptraj and randomizeions Marie-Pierre Durrieu (Fri Feb 18 2005 - 01:49:16 PST)
  - Re: AMBER: problem with ptraj and randomizeions Marie-Pierre Durrieu (Fri Feb 18 2005 - 02:19:06 PST)
AMBER: PSC Summer Workshop: Modeling Proteins and Nucleic Acids with AMBER, VMD and the MMTSB Toolkit Troy Wymore (Thu Feb 17 2005 - 11:00:36 PST)
AMBER: amber8 and moil-view Lihua Wang (Thu Feb 17 2005 - 11:26:32 PST)
- Re: AMBER: amber8 and moil-view Carlos Simmerling (Thu Feb 17 2005 - 11:42:13 PST)
  - Re: AMBER: amber8 and moil-view Lihua Wang (Thu Feb 17 2005 - 11:52:08 PST)
    - Re: AMBER: amber8 and moil-view Carlos Simmerling (Thu Feb 17 2005 - 12:06:42 PST)
    - Re: AMBER: amber8 and moil-view Lihua Wang (Thu Feb 17 2005 - 12:14:04 PST)
    - Re: AMBER: amber8 and moil-view Carlos Simmerling (Fri Feb 18 2005 - 12:13:03 PST)
AMBER: Amber8 Solaris installation failure Joe Nolan (Thu Feb 17 2005 - 12:27:12 PST)
- Re: AMBER: Amber8 Solaris installation failure David A. Case (Thu Feb 17 2005 - 18:31:00 PST)
  - Re: AMBER: Amber8 Solaris installation failure Joe Nolan (Tue Feb 22 2005 - 12:12:02 PST)
    - Re: AMBER: Amber8 Solaris installation failure Atro Tossavainen (Tue Feb 22 2005 - 12:19:31 PST)
    - Re: AMBER: Amber8 Solaris installation failure Joe Nolan (Tue Feb 22 2005 - 15:34:50 PST)
    - RE: AMBER: Amber8 Solaris installation failure Ross Walker (Tue Feb 22 2005 - 15:55:17 PST)
    - Re: AMBER: Amber8 Solaris installation failure David A. Case (Tue Feb 22 2005 - 16:52:13 PST)
    - Re: AMBER: Amber8 Solaris installation failure M. L. Dodson (Tue Feb 22 2005 - 18:33:31 PST)
    - Re: AMBER: Amber8 Solaris installation failure Joe Nolan (Mon Feb 28 2005 - 12:24:28 PST)
    - Re: AMBER: Amber8 Solaris installation failure M. L. Dodson (Mon Feb 28 2005 - 12:55:47 PST)
    - Re: AMBER: Amber8 Solaris installation failure David A. Case (Mon Feb 28 2005 - 14:42:21 PST)
- RE: AMBER: Amber8 Solaris installation failure Bill Ross (Tue Feb 22 2005 - 16:08:37 PST)
AMBER: sander errors with atom restraints on ia64 Rachel Burdge (Thu Feb 17 2005 - 13:46:04 PST)
- Re: AMBER: sander errors with atom restraints on ia64 Viktor Hornak (Thu Feb 17 2005 - 14:46:26 PST)
  - Re: AMBER: sander errors with atom restraints on ia64 Rachel Burdge (Fri Feb 18 2005 - 08:04:17 PST)
AMBER: leap saveamberparm chain types response Stern, Julie (Thu Feb 17 2005 - 15:16:50 PST)
AMBER: Compiling/Runing on BSD - emulation and/or gfortran (Linux and BSD) Greg Recine (Thu Feb 17 2005 - 16:23:01 PST)
- Re: AMBER: Compiling/Runing on BSD - emulation and/or gfortran (Linux and BSD) M. L. Dodson (Thu Feb 17 2005 - 18:21:29 PST)
- Re: AMBER: Compiling/Runing on BSD - emulation and/or gfortran (Linux and BSD) David A. Case (Thu Feb 17 2005 - 23:41:23 PST)
  - Re: AMBER: Compiling/Runing on BSD - emulation and/or gfortran (Linux and BSD) David A. Case (Thu Feb 17 2005 - 23:56:20 PST)
Re: AMBER: leap saveamberparm chain types response Bill Ross (Thu Feb 17 2005 - 17:15:20 PST)
AMBER: GB solvation and "boxed" environment simulation Soo (Thu Feb 17 2005 - 21:32:38 PST)
AMBER: molecule blowing apart during equilibration Stern, Julie (Thu Feb 17 2005 - 23:12:16 PST)
- RE: AMBER: molecule blowing apart during equilibration Ross Walker (Fri Feb 18 2005 - 08:56:30 PST)
- Re: AMBER: molecule blowing apart during equilibration Carlos Simmerling (Fri Feb 18 2005 - 12:11:49 PST)
AMBER: ptraj Gustavo Pierdominici Sottile (Fri Feb 18 2005 - 06:58:37 PST)
AMBER: XMGR Beale, John (Fri Feb 18 2005 - 10:20:44 PST)
- Re: AMBER: XMGR Andreas Svrcek-Seiler (Fri Feb 18 2005 - 12:31:15 PST)
AMBER: DNA Tutorial Dwayne Hoobler (Fri Feb 18 2005 - 15:07:34 PST)
- RE: AMBER: DNA Tutorial Ross Walker (Fri Feb 18 2005 - 17:15:31 PST)
  - RE: AMBER: DNA Tutorial Dwayne Hoobler (Mon Feb 21 2005 - 12:26:37 PST)
    - Re: AMBER: DNA Tutorial David A. Case (Mon Feb 21 2005 - 15:52:21 PST)
AMBER: Amber: sander error segmentation fault. S.Sundar Raman (Fri Feb 18 2005 - 22:03:50 PST)
- RE: AMBER: Amber: sander error segmentation fault. Ross Walker (Fri Feb 18 2005 - 22:34:22 PST)
AMBER: ptraj for RDF calculations Javier Perez Miron (Sat Feb 19 2005 - 08:47:02 PST)
AMBER: simulation with explicit water molecules Ye MEI (Sat Feb 19 2005 - 19:24:48 PST)
AMBER: (no subject) yen li (Sun Feb 20 2005 - 10:16:32 PST)
AMBER: AIX problem Mayumi Haga (Sun Feb 20 2005 - 21:17:29 PST)
- Re: AMBER: AIX problem David A. Case (Mon Feb 21 2005 - 16:05:40 PST)
  - RE: AMBER: AIX problem Mayumi Haga (Mon Feb 21 2005 - 16:45:33 PST)
AMBER: ptraj for RDF calculations Javier Perez Miron (Mon Feb 21 2005 - 00:42:33 PST)
- Re: AMBER: ptraj for RDF calculations Carlos Jaime (Mon Feb 21 2005 - 01:11:22 PST)
AMBER: Amber 8 with lam compilation problem m m (Mon Feb 21 2005 - 00:55:49 PST)
- RE: AMBER: Amber 8 with lam compilation problem Ross Walker (Mon Feb 21 2005 - 01:20:21 PST)
AMBER: problem with protein minimization yen li (Mon Feb 21 2005 - 01:12:02 PST)
- Re: AMBER: problem with protein minimization David A. Case (Mon Feb 21 2005 - 16:11:37 PST)
  - Re: AMBER: problem with protein minimization yen li (Tue Feb 22 2005 - 01:26:37 PST)
    - RE: AMBER: problem with protein minimization Ross Walker (Tue Feb 22 2005 - 08:47:56 PST)
    - Re: AMBER: problem with protein minimization Robert Duke (Tue Feb 22 2005 - 09:10:51 PST)
AMBER: separate solvent-solvent and solvent-solute interaction Ye MEI (Mon Feb 21 2005 - 04:44:22 PST)
- Re: AMBER: separate solvent-solvent and solvent-solute interaction David A. Case (Mon Feb 21 2005 - 09:07:24 PST)
  - Re: Re: AMBER: separate solvent-solvent and solvent-solute interaction Ye MEI (Mon Feb 21 2005 - 19:21:48 PST)
AMBER: Formatting Questions Kara Di Giorgio (Mon Feb 21 2005 - 11:09:44 PST)
- Re: AMBER: Formatting Questions David A. Case (Mon Feb 21 2005 - 17:33:34 PST)
  - Re: AMBER: Formatting Questions Kara Di Giorgio (Mon Feb 21 2005 - 18:03:37 PST)
  - Re: AMBER: Formatting Questions Kara Di Giorgio (Tue Feb 22 2005 - 13:48:46 PST)
- Re: AMBER: Formatting Questions Bill Ross (Tue Feb 22 2005 - 16:03:26 PST)
AMBER: Free energy extimate for the same structure but different conformers claudio (Mon Feb 21 2005 - 12:56:10 PST)
- Re: AMBER: Free energy extimate for the same structure but different conformers David A. Case (Mon Feb 21 2005 - 16:00:39 PST)
AMBER: ptraj problem Mayumi Haga (Tue Feb 22 2005 - 01:38:43 PST)
- Re: AMBER: ptraj problem scopio (Tue Feb 22 2005 - 02:08:28 PST)
AMBER: restraint only for Z cartegian coordinate? Jaroslav Hanus (Tue Feb 22 2005 - 07:40:58 PST)
- Re: AMBER: restraint only for Z cartegian coordinate? Carlos Simmerling (Tue Feb 22 2005 - 08:02:31 PST)
- Re: AMBER: restraint only for Z cartegian coordinate? Jaroslav Hanus (Fri Feb 25 2005 - 03:12:48 PST)
AMBER: Restraint of atoms during minimization L Jin (Tue Feb 22 2005 - 08:17:05 PST)
- Re: AMBER: Restraint of atoms during minimization Carlos Simmerling (Tue Feb 22 2005 - 08:34:06 PST)
  - Re: AMBER: Restraint of atoms during minimization L Jin (Tue Feb 22 2005 - 09:12:13 PST)
    - Re: AMBER: Restraint of atoms during minimization David A. Case (Tue Feb 22 2005 - 09:19:17 PST)
    - Re: AMBER: Restraint of atoms during minimization Carlos Simmerling (Tue Feb 22 2005 - 09:28:01 PST)
    - Re: AMBER: Restraint of atoms during minimization Thomas E. Cheatham, III (Tue Feb 22 2005 - 09:36:42 PST)
AMBER: dihedral driver? Beale, John (Tue Feb 22 2005 - 08:26:26 PST)
AMBER: vlimit exceeded and temperature blow up Stern, Julie (Tue Feb 22 2005 - 08:36:05 PST)
- Re: AMBER: vlimit exceeded and temperature blow up Carlos Simmerling (Tue Feb 22 2005 - 08:46:21 PST)
AMBER: MPI for sander8 S. Frank Yan (Tue Feb 22 2005 - 09:04:56 PST)
- Re: AMBER: MPI for sander8 Viktor Hornak (Tue Feb 22 2005 - 09:13:46 PST)
- Re: AMBER: MPI for sander8 Thomas E. Cheatham, III (Tue Feb 22 2005 - 09:22:18 PST)
- RE: AMBER: MPI for sander8 Ross Walker (Tue Feb 22 2005 - 09:54:37 PST)
  - RE: AMBER: MPI for sander8 James W. Caldwell (Tue Feb 22 2005 - 11:52:56 PST)
AMBER: ptraj8: trajectory windows Anselm Horn (Tue Feb 22 2005 - 09:16:13 PST)
AMBER: lastrst Stern, Julie (Tue Feb 22 2005 - 15:06:24 PST)
- Re: AMBER: lastrst David A. Case (Tue Feb 22 2005 - 21:53:28 PST)
AMBER: lastrst Stern, Julie (Tue Feb 22 2005 - 17:21:00 PST)
- Re: AMBER: lastrst Carlos Simmerling (Tue Feb 22 2005 - 17:39:37 PST)
- Re: AMBER: lastrst Ilyas Yildirim (Tue Feb 22 2005 - 18:36:00 PST)
AMBER: minimizing structures before MM-PBSA? scopio (Tue Feb 22 2005 - 17:23:37 PST)
- Re: AMBER: minimizing structures before MM-PBSA? Carlos Simmerling (Tue Feb 22 2005 - 17:37:18 PST)
AMBER: convert one functional group to another with TI Eric Hu (Tue Feb 22 2005 - 17:29:42 PST)
- Re: AMBER: convert one functional group to another with TI David A. Case (Tue Feb 22 2005 - 21:44:41 PST)
  - Re: AMBER: convert one functional group to another with TI Eric Hu (Tue Feb 22 2005 - 22:36:03 PST)
    - Re: AMBER: convert one functional group to another with TI David A. Case (Wed Feb 23 2005 - 14:46:55 PST)
    - Re: AMBER: convert one functional group to another with TI David A. Case (Wed Feb 23 2005 - 15:01:42 PST)
    - AMBER: Does delta.charge mean "final charge" for a dummy atom? Eric Hu (Thu Feb 24 2005 - 17:22:23 PST)
    - Re: AMBER: Does delta.charge mean "final charge" for a dummy atom? David A. Case (Thu Feb 24 2005 - 18:31:04 PST)
    - Re: AMBER: Does delta.charge mean "final charge" for a dummy atom? Eric Hu (Fri Feb 25 2005 - 16:38:05 PST)
    - Re: AMBER: convert one functional group to another with TI Eric Hu (Wed Feb 23 2005 - 15:18:29 PST)
AMBER: total energy of solvation Holly Freedman (Tue Feb 22 2005 - 20:05:36 PST)
- Re: AMBER: total energy of solvation David A. Case (Tue Feb 22 2005 - 21:40:47 PST)
AMBER: size of solventbox mathew k varghese (Tue Feb 22 2005 - 20:07:00 PST)
- AMBER: parallel AMBER/pmemd installation problem on Opteron Jyh-Shyong Ho (Tue Feb 22 2005 - 21:08:22 PST)
  - Re: AMBER: parallel AMBER/pmemd installation problem on Opteron Robert Duke (Wed Feb 23 2005 - 05:17:54 PST)
    - Re: AMBER: parallel AMBER/pmemd installation problem on Opteron Lars Packschies (Wed Feb 23 2005 - 08:22:59 PST)
    - Re: AMBER: parallel AMBER/pmemd installation problem on Opteron Robert Duke (Wed Feb 23 2005 - 09:27:13 PST)
  - Re: AMBER: parallel AMBER/pmemd installation problem on Opteron Lars Packschies (Thu Feb 24 2005 - 15:58:25 PST)
    - Re: AMBER: parallel AMBER/pmemd installation problem on Opteron Robert Duke (Thu Feb 24 2005 - 20:06:54 PST)
- RE: AMBER: size of solventbox Ross Walker (Tue Feb 22 2005 - 21:22:03 PST)
  - AMBER: RE:Amber 8 with lam compilation problem Maciej KA (Tue Feb 22 2005 - 23:08:16 PST)
    - RE: AMBER: RE:Amber 8 with lam compilation problem Ross Walker (Tue Feb 22 2005 - 23:20:54 PST)
  - Re: AMBER: size of solventbox Brent Krueger (Wed Feb 23 2005 - 12:54:35 PST)
- Re: AMBER: size of solventbox Germán Sciaini (Wed Feb 23 2005 - 02:50:39 PST)
  - Re: AMBER: size of solventbox Fabien Cailliez (Wed Feb 23 2005 - 03:21:52 PST)
AMBER: mpirun sander8 problem S. Frank Yan (Tue Feb 22 2005 - 23:13:34 PST)
- Re: AMBER: mpirun sander8 problem Carlos Simmerling (Wed Feb 23 2005 - 05:05:01 PST)
- RE: AMBER: mpirun sander8 problem S. Frank Yan (Wed Feb 23 2005 - 08:58:08 PST)
- FW: AMBER: mpirun sander8 problem S. Frank Yan (Thu Feb 24 2005 - 00:41:14 PST)
  - Re: FW: AMBER: mpirun sander8 problem Guanglei Cui (Thu Feb 24 2005 - 07:46:05 PST)
- Re: AMBER: mpirun sander8 problem S. Frank Yan (Thu Feb 24 2005 - 08:30:23 PST)
AMBER: RE:Amber 8 with lam compilation problem Maciej KA (Wed Feb 23 2005 - 00:07:37 PST)
- RE: AMBER: RE:Amber 8 with lam compilation problem Ross Walker (Wed Feb 23 2005 - 10:02:47 PST)
Re: AMBER: lastrst Stern, Julie (Wed Feb 23 2005 - 13:03:57 PST)
- Re: AMBER: lastrst Furse, Kristina Elisabet (Wed Feb 23 2005 - 13:36:08 PST)
AMBER: classes Gustavo Pierdominici Sottile (Wed Feb 23 2005 - 13:00:47 PST)
- RE: AMBER: classes Vineet Pande (Thu Feb 24 2005 - 06:29:19 PST)
AMBER: solvateOct method Cameron Mura (Wed Feb 23 2005 - 18:26:19 PST)
- Re: AMBER: solvateOct method David A. Case (Fri Feb 25 2005 - 08:53:19 PST)
Re: AMBER: Use of ibelly with nmode analysis marti (Thu Feb 24 2005 - 03:47:28 PST)
- Re: AMBER: Use of ibelly with nmode analysis David A. Case (Thu Feb 24 2005 - 08:30:31 PST)
AMBER: How to build dynamics input for guanine with tleap ? Maciej (Thu Feb 24 2005 - 05:44:37 PST)
- RE: AMBER: How to build dynamics input for guanine with tleap ? Vineet Pande (Thu Feb 24 2005 - 06:35:23 PST)
AMBER: Joining residues/units Bogos Agianian (Thu Feb 24 2005 - 06:58:55 PST)
- Re: AMBER: Joining residues/units David A. Case (Thu Feb 24 2005 - 12:54:37 PST)
  - Re: AMBER: Joining residues/units Bogos Agianian (Thu Feb 24 2005 - 13:22:07 PST)
- Re: AMBER: Joining residues/units FyD (Fri Feb 25 2005 - 09:13:29 PST)
AMBER: cross-correlation Xin Hu (Thu Feb 24 2005 - 08:40:54 PST)
AMBER: ambpdb radii Harianto (Thu Feb 24 2005 - 11:24:39 PST)
- Re: AMBER: ambpdb radii David A. Case (Thu Feb 24 2005 - 16:56:40 PST)
  - Re: AMBER: ambpdb radii Harianto (Fri Feb 25 2005 - 08:20:31 PST)
    - Re: AMBER: ambpdb radii David A. Case (Fri Feb 25 2005 - 08:09:53 PST)
    - Re: AMBER: ambpdb radii Harianto (Fri Feb 25 2005 - 10:41:59 PST)
    - Re: AMBER: ambpdb radii David A. Case (Fri Feb 25 2005 - 10:15:57 PST)
AMBER: units describing projection onto modes Vlad Cojocaru (Thu Feb 24 2005 - 10:40:18 PST)
AMBER: correlation Gustavo Pierdominici Sottile (Thu Feb 24 2005 - 11:48:50 PST)
- Re: AMBER: correlation David A. Case (Mon Feb 28 2005 - 09:32:54 PST)
AMBER: pmemd + pgi 5.1 + ntr = 1 Peter Varnai (Thu Feb 24 2005 - 14:25:04 PST)
- Re: AMBER: pmemd + pgi 5.1 + ntr = 1 Robert Duke (Thu Feb 24 2005 - 14:38:02 PST)
  - Re: AMBER: pmemd + pgi 5.1 + ntr = 1 Peter Varnai (Thu Feb 24 2005 - 14:59:16 PST)
    - Re: AMBER: pmemd + pgi 5.1 + ntr = 1 Robert Duke (Thu Feb 24 2005 - 15:22:37 PST)
AMBER: My last posting Robert Duke (Thu Feb 24 2005 - 20:15:08 PST)
AMBER: compile amber8 on RHEL4 HuiZhe Li (Thu Feb 24 2005 - 23:59:02 PST)
- Re: AMBER: compile amber8 on RHEL4 Ye MEI (Fri Feb 25 2005 - 04:01:17 PST)
- Re: AMBER: compile amber8 on RHEL4 Tru Huynh (Fri Feb 25 2005 - 05:09:33 PST)
AMBER: nmode entropy calculations in MMPBSA Fabien Cailliez (Fri Feb 25 2005 - 02:20:23 PST)
- Re: AMBER: nmode entropy calculations in MMPBSA david.evans.ulsop.ac.uk (Fri Feb 25 2005 - 06:14:55 PST)
AMBER: vlimit Gustavo Pierdominici Sottile (Fri Feb 25 2005 - 04:45:35 PST)
AMBER: make test.lmod error yuann (Fri Feb 25 2005 - 08:45:11 PST)
- Re: AMBER: make test.lmod error David A. Case (Fri Feb 25 2005 - 09:41:32 PST)
AMBER: setBox buffer in leap Stern, Julie (Fri Feb 25 2005 - 10:43:19 PST)
AMBER: problem with solvateBox ReichertD.mir.wustl.edu (Fri Feb 25 2005 - 12:38:51 PST)
- Re: AMBER: problem with solvateBox David A. Case (Fri Feb 25 2005 - 13:41:38 PST)
AMBER: Austin B. Yongye (Fri Feb 25 2005 - 13:43:56 PST)
- AMBER: Pyranose pucker parameters Austin B. Yongye (Fri Feb 25 2005 - 21:10:06 PST)
  - RE: AMBER: Pyranose pucker parameters Ross Walker (Sun Feb 27 2005 - 11:58:30 PST)
    - RE: AMBER: Pyranose pucker parameters Austin B. Yongye (Sun Feb 27 2005 - 19:08:52 PST)
AMBER: ico(i)=-1? Xiao He (Fri Feb 25 2005 - 19:49:46 PST)
- Re: AMBER: ico(i)=-1? Guanglei Cui (Sat Feb 26 2005 - 07:42:08 PST)
AMBER: Amber Poisson-Boltzmann MD :Equilibration Problem praveena moldy (Sun Feb 27 2005 - 21:36:36 PST)
AMBER: GBSA calculation Stefano Federico Massimiliano Pieraccini (Stefano.Pieraccini) (Mon Feb 28 2005 - 02:59:23 PST)
- Re: AMBER: GBSA calculation David A. Case (Mon Feb 28 2005 - 09:48:24 PST)
AMBER: creating a new residue Amber admin (Mon Feb 28 2005 - 08:44:59 PST)
AMBER: Controlling number of water residues... Pavan G (Mon Feb 28 2005 - 23:14:51 PST)

Amber Archive Feb 2005 By Thread