Amber Archive Nov 2007: by author

ABEL Stephane 984007
- RE : AMBER: Atom types for polyunsaturated lipids (Sun Nov 18 2007 - 11:40:24 PST)
- AMBER: Atom types for polyunsaturated lipids (Sun Nov 18 2007 - 09:14:14 PST)
- AMBER: 2 double bond in AMBER ffield (Tue Nov 13 2007 - 09:00:08 PST)
Adrian Roitberg
- Re: AMBER: questions about smd of amber 9 (Thu Nov 29 2007 - 08:56:15 PST)
- Re: AMBER: RE: FF94 or FF99? (Thu Nov 22 2007 - 07:20:22 PST)
- Re: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 07:17:43 PST)
- Re: AMBER: TIP5P water simulation using AMBER7 (Sun Nov 11 2007 - 08:29:11 PST)
- Re: AMBER: Compiling single programs (Fri Nov 02 2007 - 11:08:44 PDT)
- Re: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 06:06:28 PDT)
Alessandro Nascimento
- Re: AMBER: About RAMD (Thu Nov 29 2007 - 02:54:02 PST)
- AMBER: EXCEEDED MAXLESADJ in sander.LES.MPI (amber9) (Sat Nov 17 2007 - 13:24:58 PST)
alfredoq.mail.fcq.unc.edu.ar
- Re: AMBER: Problem with xLeap (Tue Nov 13 2007 - 10:11:31 PST)
- Re: AMBER: Problem with xLeap (Tue Nov 13 2007 - 09:07:40 PST)
- AMBER: Problem with xLeap (Tue Nov 13 2007 - 07:34:46 PST)
Allen, Thomas W., Ph.D. [RO BIOCHM]
- AMBER: umbrella sampling and WHAM (Mon Nov 05 2007 - 12:03:31 PST)
Andreas Svrcek-Seiler
- Re: AMBER: gb minimization using nab (Tue Nov 13 2007 - 03:58:05 PST)
Austin B. Yongye
- RE: AMBER: Calculating dipole moments (Thu Nov 29 2007 - 07:40:51 PST)
- AMBER: Calculating dipole moments (Wed Nov 28 2007 - 11:33:41 PST)
- Re: AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 06:26:57 PST)
backy
- AMBER: ele vs van der Waals (Thu Nov 29 2007 - 01:14:19 PST)
- AMBER: Missing BELE for MM in 1 (Mon Nov 19 2007 - 04:19:09 PST)
Beale, John
- AMBER: LEaP bond problem (Wed Nov 07 2007 - 04:57:30 PST)
Bill Ross
- Re: AMBER: Xleap and Hydrogens (Tue Nov 27 2007 - 09:11:35 PST)
- Re: AMBER: Puzzle with WAT (Sun Nov 18 2007 - 10:55:15 PST)
- Re: AMBER: Puzzle with WAT (Sat Nov 17 2007 - 16:00:06 PST)
- Re: AMBER: Improper torsion terms (Fri Nov 02 2007 - 09:41:00 PDT)
Biman Jana
- AMBER: Value of taup for bulk TIP5P water simulation(amber7) (Mon Nov 26 2007 - 11:25:37 PST)
- AMBER: Pressure Variation for NPT simulation of TIP5P water (fwd) (Sat Nov 24 2007 - 05:22:39 PST)
- AMBER: Pressure Variation for NPT simulation of TIP5P water (Thu Nov 22 2007 - 06:50:16 PST)
- Re: AMBER: TIP5P water simulation using AMBER7 (Sun Nov 11 2007 - 06:21:56 PST)
- AMBER: TIP5P water simulation using AMBER7 (Sat Nov 10 2007 - 06:57:20 PST)
- AMBER: TIP5P water Simulation (Wed Nov 07 2007 - 09:12:42 PST)
- AMBER: (no subject) (Wed Nov 07 2007 - 09:09:00 PST)
Boutheïna Kerkeni
- Re: AMBER: modifications to force field for Fe4S4 cubane (Wed Nov 28 2007 - 13:31:02 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Wed Nov 28 2007 - 07:36:38 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Tue Nov 27 2007 - 07:23:39 PST)
- AMBER: modifications to force field for Fe4S4 cubane (Tue Nov 27 2007 - 03:26:22 PST)
- AMBER: connecting a non standard residue to the rest of an enzyme (Fri Nov 23 2007 - 05:43:36 PST)
- AMBER: modifications to force field for Fe4S4 cubane (Wed Nov 21 2007 - 13:41:45 PST)
brmeher.iitg.ernet.in
- AMBER: How to calculate S2 from P2 using ptraj ? (Fri Nov 16 2007 - 22:40:31 PST)
- AMBER: How to calculate S2 from P2 using ptraj ? (Fri Nov 16 2007 - 22:34:11 PST)
Campbell, Patrick
- AMBER: Would amber work with Linspire 6.0? (Tue Nov 27 2007 - 15:01:02 PST)
Carlos Simmerling
- Re: AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 04:32:04 PST)
- Re: AMBER: Extra-term to the Energy function !! (Tue Nov 27 2007 - 03:12:13 PST)
- Re: AMBER: umbrella sampling (Sun Nov 25 2007 - 11:52:57 PST)
- Re: AMBER: Hello (Sat Nov 24 2007 - 10:55:46 PST)
- Re: AMBER: Hello (Fri Nov 23 2007 - 19:01:13 PST)
- Re: AMBER: RE: FF94 or FF99? (Thu Nov 22 2007 - 16:13:16 PST)
- Re: AMBER:How to calculate the free energy of a series of conformations (Wed Nov 21 2007 - 15:04:03 PST)
- Re: AMBER: EXCEEDED MAXLESADJ in sander.LES.MPI (amber9) (Sat Nov 17 2007 - 13:51:09 PST)
- Re: AMBER: Parallel scaling (Tue Nov 13 2007 - 03:07:53 PST)
- Re: AMBER: TIP5P water simulation using AMBER7 (Sun Nov 11 2007 - 06:25:50 PST)
- Re: AMBER: TIP5P water simulation using AMBER7 (Sat Nov 10 2007 - 07:00:36 PST)
- Re: AMBER: Can a simulation run on AMBER 9 be compared with another from AMBER 8? (Tue Nov 06 2007 - 03:49:13 PST)
- Re: Re: AMBER: AMBER 9 - Force Field Options - Question (Mon Nov 05 2007 - 09:39:01 PST)
Catein Catherine
- RE: AMBER: How to decide extra-helical or intra-helical bulge conformation by PTRAJ ? (Sun Nov 04 2007 - 21:20:48 PST)
cgji
- Re: Re: AMBER: AMBER 9 - Force Field Options - Question (Mon Nov 05 2007 - 09:19:58 PST)
Chris Moth
- Re: AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 09:49:46 PST)
- Re: AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 06:11:40 PST)
- Re: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 06:40:26 PST)
Christophe Guilbert
- Re: AMBER: Would amber work with Linspire 6.0? (Tue Nov 27 2007 - 19:35:35 PST)
Cooper, Matthew
- RE: AMBER: thermodynamic integration (Fri Nov 09 2007 - 06:32:52 PST)
- RE: AMBER: thermodynamic integration (Fri Nov 09 2007 - 06:03:32 PST)
- AMBER: thermodynamic integration (Thu Nov 08 2007 - 13:14:25 PST)
David A. Case
- Re: AMBER: leaprc.ff02polEP.r1into xleap (Thu Nov 29 2007 - 07:40:04 PST)
- Re: AMBER: Weird restart file with ioutfm=0, iwrap=1 and ntwprt >0 (Wed Nov 28 2007 - 11:27:52 PST)
- Re: AMBER: leaprc.ff02polEP.r1into xleap (Wed Nov 28 2007 - 10:58:30 PST)
- Re: AMBER: addles (Wed Nov 28 2007 - 09:46:57 PST)
- Re: AMBER: (no subject) (Wed Nov 28 2007 - 09:09:04 PST)
- Re: AMBER: bondi radii problems (Wed Nov 28 2007 - 08:32:21 PST)
- Re: AMBER: Polarizable potential (Wed Nov 28 2007 - 08:19:06 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Tue Nov 27 2007 - 13:10:40 PST)
- Re: AMBER: question about ntx=5 (Tue Nov 27 2007 - 08:49:33 PST)
- Re: AMBER: Xleap and Hydrogens (Tue Nov 27 2007 - 08:40:05 PST)
- Re: AMBER: Polarizable potentials (Mon Nov 26 2007 - 18:23:05 PST)
- Re: AMBER: Restrained MD (amber9) (Mon Nov 26 2007 - 15:49:43 PST)
- Re: AMBER: question about ntx=5 (Sun Nov 25 2007 - 16:27:30 PST)
- Re: AMBER: Hello (Sat Nov 24 2007 - 22:14:23 PST)
- Re: AMBER: Pressure Variation for NPT simulation of TIP5P water (fwd) (Sat Nov 24 2007 - 09:36:44 PST)
- AMBER: antechamber problem (Fri Nov 23 2007 - 18:40:21 PST)
- Re: AMBER: frcmod file and NONB for dummy atoms (Fri Nov 23 2007 - 10:58:46 PST)
- Re: AMBER: RE: FF94 or FF99? (Fri Nov 23 2007 - 10:51:18 PST)
- Re: AMBER: connecting a non standard residue to the rest of an enzyme (Fri Nov 23 2007 - 10:39:13 PST)
- Re: AMBER: About TER records (Fri Nov 23 2007 - 10:35:46 PST)
- Re: AMBER: Pressure Variation for NPT simulation of TIP5P water (Thu Nov 22 2007 - 09:34:34 PST)
- Re: AMBER: Problem with LEaP generating topology and coord files after double bond creation (Wed Nov 21 2007 - 17:08:08 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Wed Nov 21 2007 - 14:30:30 PST)
- Re: AMBER:How to calculate the free energy of a series of conformations (Wed Nov 21 2007 - 11:42:09 PST)
- Re: AMBER: Implicit/Explicit solvation (Wed Nov 21 2007 - 08:46:19 PST)
- Re: AMBER: newby question on converting xyz format to pdb format after energy minimization (Tue Nov 20 2007 - 13:33:08 PST)
- Re: AMBER: How to calculate S2 from P2 using ptraj ? (Mon Nov 19 2007 - 10:04:48 PST)
- Re: AMBER: Fwd: [chirality.c] Atom did not match (Sat Nov 17 2007 - 08:53:01 PST)
- Re: AMBER: Fwd: [chirality.c] Atom did not match (Fri Nov 16 2007 - 16:03:33 PST)
- Re: AMBER: chem shift format (Fri Nov 16 2007 - 16:00:27 PST)
- Re: AMBER: &shf setup (Fri Nov 16 2007 - 15:59:19 PST)
- Re: AMBER: antechamber --> sander problem (Fri Nov 16 2007 - 13:17:50 PST)
- Re: AMBER: xleap heme iron coordination error (Fri Nov 16 2007 - 11:47:53 PST)
- Re: AMBER: Understading of mdcrd file and pdb file.. (Thu Nov 15 2007 - 22:23:30 PST)
- Re: [Fwd: Re: AMBER: xleap patch for xorg-7.3 ??] (Thu Nov 15 2007 - 22:12:45 PST)
- Re: AMBER: amber9 leap installation error on sgi_altix (Tue Nov 13 2007 - 15:27:55 PST)
- Re: AMBER: Problem with xLeap (Tue Nov 13 2007 - 09:55:24 PST)
- Re: AMBER: Installing Amber9 in a Cygwin environment on a MS-Windows XP machine (Tue Nov 13 2007 - 08:28:52 PST)
- Re: AMBER: Problem with xLeap (Tue Nov 13 2007 - 08:08:24 PST)
- Re: AMBER: Installing Amber9 in a Cygwin environment on a MS-Windows XP machine (Tue Nov 13 2007 - 07:54:38 PST)
- Re: AMBER: TIP5P water simulation using AMBER7 (Sun Nov 11 2007 - 14:04:08 PST)
- Re: AMBER: thermodynamic integration (Fri Nov 09 2007 - 10:27:48 PST)
- Re: AMBER: How can i calculate generalized order parameters using ptraj. (Thu Nov 08 2007 - 18:23:34 PST)
- Re: AMBER: divcon (Thu Nov 08 2007 - 18:06:55 PST)
- Re: AMBER: xleap patch for xorg-7.3 ?? (Thu Nov 08 2007 - 18:03:39 PST)
- Re: AMBER: thermodynamic integration (Thu Nov 08 2007 - 17:49:49 PST)
- Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) (Thu Nov 08 2007 - 12:16:57 PST)
- Re: AMBER: make test.parallel (Thu Nov 08 2007 - 07:58:39 PST)
- Re: AMBER: (no subject) (Wed Nov 07 2007 - 09:11:43 PST)
- Re: AMBER: LEaP bond problem (Wed Nov 07 2007 - 08:39:49 PST)
- Re: AMBER: Question (Tue Nov 06 2007 - 21:18:33 PST)
- Re: AMBER: Energy minimization problem of -SO3H group (Tue Nov 06 2007 - 21:12:08 PST)
- Re: AMBER: Minimum energy tolerance gradient setting for minimization (Tue Nov 06 2007 - 08:03:18 PST)
- Re: AMBER: ptraj frames maximum (Mon Nov 05 2007 - 08:37:11 PST)
- Re: AMBER: ptraj frames maximum (Mon Nov 05 2007 - 07:34:20 PST)
David Mobley
- AMBER: LJ parameters for alkynes (Mon Nov 26 2007 - 10:07:37 PST)
- Re: AMBER: Antechamber (Tue Nov 06 2007 - 12:41:17 PST)
- Re: AMBER: Antechamber (Tue Nov 06 2007 - 09:15:33 PST)
Denis Courtier
- Re: AMBER: vlimit exceeded, polarizable force field (Thu Nov 29 2007 - 05:33:22 PST)
- AMBER: vlimit exceeded, polarizable force field (Thu Nov 29 2007 - 03:43:45 PST)
- Re: AMBER: leaprc.ff02polEP.r1into xleap (Thu Nov 29 2007 - 03:01:38 PST)
- AMBER: leaprc.ff02polEP.r1into xleap (Wed Nov 28 2007 - 09:44:21 PST)
- AMBER: Polarizable potential (Wed Nov 28 2007 - 06:32:49 PST)
- AMBER: Polarizable Potential (Tue Nov 27 2007 - 09:40:34 PST)
- AMBER: Polarizable potentials (Mon Nov 26 2007 - 10:49:33 PST)
dinko.x.ziher.gsk.com
- AMBER: AMBER 9 - visualization of MD trajectory by MOE (Wed Nov 07 2007 - 04:45:41 PST)
dykyy
- AMBER: Question (Tue Nov 06 2007 - 05:12:46 PST)
Eddie Men
- Re: AMBER: bondi radii problems (Wed Nov 28 2007 - 10:45:34 PST)
- AMBER: PB warning in pb_miccg(): CG maxitn exceeded! (Tue Nov 27 2007 - 20:35:17 PST)
- Re: AMBER: restraints to individual atoms (Tue Nov 27 2007 - 19:54:30 PST)
- AMBER: bondi radii problems (Tue Nov 27 2007 - 19:31:19 PST)
- AMBER: restraints to individual atoms (Mon Nov 26 2007 - 19:02:11 PST)
- Re: AMBER: Hello (Sat Nov 24 2007 - 10:47:11 PST)
- AMBER: Hello (Fri Nov 23 2007 - 18:44:05 PST)
- Re: AMBER: BELLY (Thu Nov 22 2007 - 14:30:38 PST)
- AMBER: BELLY (Thu Nov 22 2007 - 13:16:39 PST)
- AMBER: BELLY issues (Thu Nov 22 2007 - 02:03:52 PST)
- AMBER: Implicit/Explicit solvation (Tue Nov 20 2007 - 23:03:12 PST)
- Re: AMBER: newby question on converting xyz format to pdb format after energy minimization (Tue Nov 20 2007 - 13:24:56 PST)
- AMBER: RESP question (Fri Nov 09 2007 - 16:33:16 PST)
- Re: AMBER: Energy minimization problem of -SO3H group (Tue Nov 06 2007 - 21:52:09 PST)
- Re: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 05:01:10 PDT)
- Re: AMBER: antechamber fails with large molecules (Fri Nov 02 2007 - 01:50:57 PDT)
Esther Brugger
- AMBER: radial distribution by Ptraj (Wed Nov 28 2007 - 06:35:49 PST)
fatima.chami.durham.ac.uk
- Re: AMBER: antechamber: read in charges (Wed Nov 28 2007 - 10:52:41 PST)
- AMBER: antechamber: read in charges (Tue Nov 27 2007 - 07:40:13 PST)
- AMBER: dihedral driver (Sun Nov 04 2007 - 04:51:22 PST)
Francesco Pietra
- Re: AMBER: Group input for restrained atoms (Fri Nov 30 2007 - 13:12:42 PST)
- AMBER: Group input for restrained atoms (Fri Nov 30 2007 - 08:28:50 PST)
- RE: AMBER: Equilibration of protein complex in POPC membrane, the whole TIP3 solvated (Thu Nov 29 2007 - 07:44:33 PST)
- AMBER: About RAMD (Wed Nov 28 2007 - 23:26:45 PST)
- AMBER: Equilibration of protein complex in POPC membrane, the whole TIP3 solvated (Wed Nov 28 2007 - 07:01:37 PST)
- AMBER: solvatebox vs solvateoct (Sun Nov 25 2007 - 10:27:06 PST)
- Re: AMBER: About TER records (Sat Nov 24 2007 - 13:34:59 PST)
- Re: AMBER: Fwd: About TER records (Sat Nov 24 2007 - 13:27:11 PST)
- Re: AMBER: Fwd: About TER records (Sat Nov 24 2007 - 10:29:15 PST)
- AMBER: Fwd: About TER records (Fri Nov 23 2007 - 07:23:41 PST)
- AMBER: About TER records (Fri Nov 23 2007 - 00:15:05 PST)
- Re: AMBER: pmemd with openmpi (Mon Nov 19 2007 - 12:31:56 PST)
- Re: AMBER: Puzzle with WAT (Sun Nov 18 2007 - 00:09:27 PST)
- AMBER: Puzzle with WAT (Sat Nov 17 2007 - 10:14:38 PST)
- Fwd: Re: AMBER: Fwd: [chirality.c] Atom did not match (Sat Nov 17 2007 - 08:16:09 PST)
- Re: AMBER: Fwd: [chirality.c] Atom did not match (Sat Nov 17 2007 - 02:56:01 PST)
- AMBER: Fwd: [chirality.c] Atom did not match (Fri Nov 16 2007 - 13:59:40 PST)
- Re: AMBER: [chirality.c] Atom did not match (Fri Nov 16 2007 - 11:38:20 PST)
- AMBER: [chirality.c] Atom did not match (Fri Nov 16 2007 - 09:09:10 PST)
- Re: AMBER:antechamber fails with large molecules (Sun Nov 11 2007 - 03:13:56 PST)
- Re: AMBER: make test.parallel (Thu Nov 08 2007 - 09:30:36 PST)
- AMBER: make test.parallel (Thu Nov 08 2007 - 00:33:21 PST)
- AMBER: "Atom valence violated" from LEaP (Mon Nov 05 2007 - 03:00:28 PST)
- Re: AMBER: antechamber fails with large molecules (Sat Nov 03 2007 - 07:01:41 PDT)
- AMBER: Failure to recompile antechamber (Fri Nov 02 2007 - 16:05:45 PDT)
- AMBER: Compiling single programs (Fri Nov 02 2007 - 10:44:09 PDT)
- Re: AMBER: antechamber fails with large molecules (Fri Nov 02 2007 - 10:07:52 PDT)
- Re: AMBER: antechamber fails with large molecules (Thu Nov 01 2007 - 01:29:26 PDT)
FyD
- Re: AMBER: Error reading radii of Cu during ESP caculation. (Thu Nov 29 2007 - 00:07:07 PST)
- Re: AMBER: Error reading radii of Cu during ESP caculation. (Wed Nov 28 2007 - 04:19:35 PST)
- AMBER: R.E.D.-III bug fixes (Sun Nov 18 2007 - 09:22:47 PST)
- Re: AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 05:21:03 PST)
- Re: AMBER: RED-vIII fails (Mon Nov 05 2007 - 10:27:33 PST)
- Re: AMBER: paper request (Mon Nov 05 2007 - 01:13:38 PST)
- Re: AMBER: antechamber fails with large molecules (Sun Nov 04 2007 - 04:29:09 PST)
Gabriele Viliani
- AMBER: (no subject) (Wed Nov 28 2007 - 08:56:32 PST)
gsciaini.qi.fcen.uba.ar
- Re: AMBER: MD simulations with Pt atom - how to keep square planar geometry? (Thu Nov 08 2007 - 08:09:31 PST)
Guillaume Renvez
- Re: AMBER: gb minimization using nab (Tue Nov 13 2007 - 06:49:48 PST)
- AMBER: gb minimization using nab (Tue Nov 13 2007 - 03:06:13 PST)
Gustavo Seabra
- Re: AMBER: questions about smd of amber 9 (Thu Nov 29 2007 - 06:53:24 PST)
- Re: AMBER: Equilibration of protein complex in POPC membrane, the whole TIP3 solvated (Wed Nov 28 2007 - 13:04:32 PST)
- Re: AMBER: restraints to individual atoms (Tue Nov 27 2007 - 08:34:14 PST)
- Re: AMBER: RESP question (Fri Nov 09 2007 - 21:01:09 PST)
- Re: AMBER: make test.parallel (Fri Nov 09 2007 - 08:28:23 PST)
Hai Long
- AMBER: Weird restart file with ioutfm=0, iwrap=1 and ntwprt >0 (Mon Nov 26 2007 - 09:41:18 PST)
Hannes Wallnoefer
- Re: AMBER: ptraj frames maximum (Mon Nov 05 2007 - 08:07:00 PST)
- AMBER: ptraj frames maximum (Mon Nov 05 2007 - 06:19:25 PST)
Hayden Eastwood
- RE: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 07:10:03 PST)
Hopkins, Robert
- AMBER: Installing Amber9 in a Cygwin environment on a MS-Windows XP machine (Mon Nov 12 2007 - 15:32:20 PST)
Hu, Shaowen (JSC-SK)[USRA]
- RE: AMBER: Installing Amber9 in a Cygwin environment on a MS-Windows XP machine (Tue Nov 13 2007 - 08:13:18 PST)
huzehan19870731.126.com
- AMBER:How to calculate the free energy of a series of conformations (Mon Nov 19 2007 - 19:18:41 PST)
Ilyas Yildirim
- Re: AMBER: angle between vectors (Fri Nov 30 2007 - 09:28:59 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Tue Nov 27 2007 - 11:29:58 PST)
- Re: AMBER: Xleap and Hydrogens (Tue Nov 27 2007 - 07:08:29 PST)
- Re: AMBER: modifications to force field for Fe4S4 cubane (Tue Nov 27 2007 - 07:02:21 PST)
- Re: AMBER: frcmod file and NONB for dummy atoms (Fri Nov 23 2007 - 18:26:37 PST)
- Re: AMBER: RE: FF94 or FF99? (Fri Nov 23 2007 - 15:29:15 PST)
- Re: AMBER: Fwd: About TER records (Fri Nov 23 2007 - 07:41:47 PST)
- AMBER: frcmod file and NONB for dummy atoms (Thu Nov 22 2007 - 16:48:31 PST)
- Re: AMBER: RE: FF94 or FF99? (Thu Nov 22 2007 - 16:29:08 PST)
- Re: AMBER: thermodynamic integration (Thu Nov 08 2007 - 14:42:04 PST)
- Re: AMBER: Antechamber (Tue Nov 06 2007 - 13:03:13 PST)
- Re: AMBER: Antechamber (Tue Nov 06 2007 - 09:36:35 PST)
- Re: AMBER: antechamber fails with large molecules (Sat Nov 03 2007 - 09:47:49 PDT)
- Re: AMBER: antechamber fails with large molecules (Sat Nov 03 2007 - 01:38:03 PDT)
- Re: AMBER: antechamber fails with large molecules (Fri Nov 02 2007 - 02:10:33 PDT)
- Re: AMBER: antechamber fails with large molecules (Fri Nov 02 2007 - 01:24:26 PDT)
jantonioms J. A. Mondragon S
- Re: AMBER: Pre-ABMER Installation Prob w/ MPICH2 (Fri Nov 23 2007 - 09:36:12 PST)
Jardas sucuriba
- RE: AMBER: umbrella sampling (Sun Nov 25 2007 - 11:32:28 PST)
Jerome.GOLEBIOWSKI.unice.fr
- Re: AMBER: RE: FF94 or FF99? (Thu Nov 22 2007 - 07:57:33 PST)
Jesper Soerensen
- Re: AMBER: RED-vIII fails (Mon Nov 05 2007 - 08:01:21 PST)
Jiri Sponer
- Re: AMBER: RE: FF94 or FF99? (Sat Nov 24 2007 - 02:53:24 PST)
- Re: AMBER: How to decide extra-helical or intra-helical bulge conformation by PTRAJ ? (Sun Nov 04 2007 - 05:01:02 PST)
Joachim Hein
- AMBER: divcon on AIX using xlf 10.1 (Wed Nov 07 2007 - 08:23:14 PST)
Joe Nolan
- AMBER: Parallel test error with shared libraries (Mon Nov 05 2007 - 13:05:27 PST)
Jojart Balazs
- Re: AMBER: [chirality.c] Atom did not match (Fri Nov 16 2007 - 09:48:51 PST)
Joseph Maxwell
- AMBER: Pre-ABMER Installation Prob w/ MPICH2 (Thu Nov 22 2007 - 11:55:18 PST)
Junmei Wang
- Re: AMBER: antechamber: read in charges (Wed Nov 28 2007 - 12:58:36 PST)
- Re: AMBER: antechamber: read in charges (Tue Nov 27 2007 - 09:50:11 PST)
- AMBER: Re: antechamber problem (Tue Nov 27 2007 - 09:38:17 PST)
- Re: AMBER:antechamber fails with large molecules (Thu Nov 01 2007 - 23:29:11 PDT)
- Re: AMBER: antechamber fails with large molecules (Thu Nov 01 2007 - 23:16:41 PDT)
Karl Kirschner
- Re: AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 05:37:42 PST)
Lars Skjærven
- AMBER: ptraj hbond mask (Mon Nov 05 2007 - 08:00:03 PST)
Lili Peng
- Re: [Fwd: Re: AMBER: xleap patch for xorg-7.3 ??] (Thu Nov 15 2007 - 14:38:57 PST)
M. L. Dodson
- Re: AMBER: [SOLVED] Problem with LEaP generating topology and coord files after double bond creation (Wed Nov 28 2007 - 10:33:38 PST)
- Re: AMBER: Equilibration of protein complex in POPC membrane, the whole TIP3 solvated (Wed Nov 28 2007 - 09:31:04 PST)
- Re: AMBER: [SOLVED] Problem with LEaP generating topology and coord files after double bond creation (Tue Nov 27 2007 - 13:45:44 PST)
- AMBER: Problem with LEaP generating topology and coord files after double bond creation (Wed Nov 21 2007 - 12:45:17 PST)
- Re: [Fwd: Re: AMBER: xleap patch for xorg-7.3 ??] (Thu Nov 15 2007 - 09:28:28 PST)
- [Fwd: Re: AMBER: xleap patch for xorg-7.3 ??] (Wed Nov 14 2007 - 10:51:35 PST)
- AMBER: xleap patch for xorg-7.3 ?? (Thu Nov 08 2007 - 11:04:05 PST)
Madjid Taghdir
- Re: AMBER: amber9 installation problem (Mon Nov 12 2007 - 00:38:57 PST)
Mag. rer. nat. Hannes Wallnöfer
- AMBER: angle between vectors (Fri Nov 30 2007 - 04:45:02 PST)
Marius Retegan
- Re: AMBER: Xleap and Hydrogens (Tue Nov 27 2007 - 07:43:36 PST)
Mark Williamson
- Re: AMBER: Compiling single programs (Fri Nov 02 2007 - 10:58:32 PDT)
Martin Klefas-Stennett
- Re: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 06:31:08 PST)
Mattia Mori - CERM
- Re: AMBER: Zinc-Histidine force field (Thu Nov 22 2007 - 11:12:43 PST)
- Re: AMBER: Zinc-Histidine force field (Thu Nov 22 2007 - 04:06:20 PST)
- AMBER: Zinc-Histidine force field (Wed Nov 21 2007 - 08:54:02 PST)
McElheny, Dan
- AMBER: (Wed Nov 21 2007 - 14:04:26 PST)
- AMBER: chem shift format (Fri Nov 16 2007 - 13:46:57 PST)
- AMBER: &shf setup (Thu Nov 15 2007 - 15:39:42 PST)
Mehmet Serkan Apaydin
- AMBER: newby question on converting xyz format to pdb format after energy minimization (Tue Nov 20 2007 - 13:02:42 PST)
Miguel Ortiz-Lombardía
- Re: AMBER: paper request (Mon Nov 05 2007 - 02:14:09 PST)
- AMBER: paper request (Mon Nov 05 2007 - 01:01:08 PST)
Mike Wykes
- AMBER: Solvation free energy (Mon Nov 19 2007 - 10:08:23 PST)
ming hui
- Re: AMBER: Error when doing a TI simulation: "vlimit exceeded (Thu Nov 15 2007 - 17:26:43 PST)
- Re: AMBER: Error when doing a TI simulation: "vlimit exceeded (Thu Nov 15 2007 - 16:48:05 PST)
- AMBER: Error when doing a TI simulation: "vlimit exceeded (Wed Nov 14 2007 - 17:10:07 PST)
- AMBER: Can a simulation run on AMBER 9 be compared with another from AMBER 8? (Tue Nov 06 2007 - 00:30:17 PST)
Myunggi Yi
- Re: AMBER: pmemd with openmpi (Mon Nov 19 2007 - 13:40:41 PST)
- AMBER: pmemd with openmpi (Mon Nov 19 2007 - 11:25:48 PST)
- AMBER: Bug report: iwrap failure in PMEMD with netCDF (Wed Nov 14 2007 - 11:18:18 PST)
nag raj
- Re: AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 19:04:53 PST)
- Re: AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 19:04:53 PST)
- AMBER: calculating charges to modified 4GA unit (Wed Nov 07 2007 - 03:26:51 PST)
Nicolas Lux Fawzi
- Re: AMBER: predictive NOE generation (Tue Nov 27 2007 - 10:26:48 PST)
Pablo Englebienne
- Re: AMBER: divcon (Thu Nov 08 2007 - 09:50:25 PST)
- Re: AMBER: MD simulations with Pt atom - how to keep square planar geometry? (Thu Nov 08 2007 - 09:44:43 PST)
- AMBER: MD simulations with Pt atom - how to keep square planar geometry? (Wed Nov 07 2007 - 18:21:21 PST)
Pankaj R. Daga
- AMBER: QMMM simulations (Tue Nov 27 2007 - 15:20:51 PST)
Patel, Bhavesh H
- AMBER: RE: FF94 or FF99? (Thu Nov 22 2007 - 06:34:55 PST)
Pavan G
- Re: AMBER: Group input for restrained atoms (Fri Nov 30 2007 - 08:43:23 PST)
- Re: AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 08:35:02 PST)
- Re: AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 04:55:14 PST)
- AMBER: Re: Calculating Energies with imin=5 (Fri Nov 30 2007 - 04:24:18 PST)
- AMBER: Improper torsion terms (Thu Nov 01 2007 - 17:24:46 PDT)
Peter Gannett
- Re: AMBER: Would amber work with Linspire 6.0? (Tue Nov 27 2007 - 19:20:19 PST)
Peter Varnai
- AMBER: replica exchange problems with ifort >10.0.023 (Sat Nov 10 2007 - 08:44:30 PST)
- AMBER: addles (Sat Nov 10 2007 - 08:40:21 PST)
Pradipta Bandyopadhyay
- AMBER: Fe bonds in HEME ! (Mon Nov 05 2007 - 03:50:58 PST)
priya priya
- Re: AMBER: Parallel scaling (Tue Nov 13 2007 - 03:26:23 PST)
- AMBER: Parallel scaling (Tue Nov 13 2007 - 02:35:20 PST)
Rama krishnan
- AMBER: Request reg parameter for vitamin e (Mon Nov 05 2007 - 23:11:47 PST)
- AMBER: Request reg parameter for vitamin e (Mon Nov 05 2007 - 23:13:51 PST)
Ray Luo
- RE: AMBER: Zinc-Histidine force field (Thu Nov 22 2007 - 11:01:30 PST)
- RE: AMBER: Zinc-Histidine force field (Wed Nov 21 2007 - 09:30:21 PST)
rebeca.mmb.pcb.ub.es
- Re: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 06:56:26 PST)
- AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 06:06:16 PST)
Robert Duke
- Re: AMBER: Bug report: iwrap failure in PMEMD with netCDF (Wed Nov 14 2007 - 11:52:16 PST)
Robyn Ayscue
- AMBER: xleap heme iron coordination error (Fri Nov 16 2007 - 11:33:35 PST)
Ross Walker
- RE: AMBER: Calculating dipole moments (Thu Nov 29 2007 - 08:08:50 PST)
- RE: AMBER: vlimit exceeded, polarizable force field (Thu Nov 29 2007 - 08:02:24 PST)
- RE: AMBER: leaprc.ff02polEP.r1into xleap (Thu Nov 29 2007 - 07:54:13 PST)
- RE: AMBER: Error in installing amber8 on Ubuntu (Thu Nov 29 2007 - 07:44:10 PST)
- RE: AMBER: Calculating dipole moments (Wed Nov 28 2007 - 13:57:12 PST)
- RE: AMBER: leaprc.ff02polEP.r1into xleap (Wed Nov 28 2007 - 10:38:47 PST)
- RE: AMBER: Would amber work with Linspire 6.0? (Tue Nov 27 2007 - 16:36:02 PST)
- RE: AMBER: QMMM simulations (Tue Nov 27 2007 - 16:41:11 PST)
- AMBER: RE: Amber9 compile problem (Tue Nov 27 2007 - 09:24:22 PST)
- RE: AMBER: restraints to individual atoms (Tue Nov 27 2007 - 09:05:44 PST)
- RE: AMBER: Implicit/Explicit solvation (Wed Nov 21 2007 - 08:10:58 PST)
- RE: AMBER: amber9 leap installation error on sgi_altix (Tue Nov 13 2007 - 14:50:53 PST)
- RE: AMBER: Protein containing iron. (Tue Nov 13 2007 - 10:37:40 PST)
- RE: AMBER: Parallel Amber compilation problems !! (Tue Nov 13 2007 - 10:33:25 PST)
- RE: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 11:42:54 PDT)
- RE: AMBER: &dipoles output in QM/MM simulations (Thu Nov 01 2007 - 10:12:52 PDT)
Sampath Koppole
- Re: AMBER: Extra-term to the Energy function !! (Tue Nov 27 2007 - 03:31:22 PST)
- AMBER: Extra-term to the Energy function !! (Tue Nov 27 2007 - 00:57:54 PST)
- RE: AMBER: Parallel Amber compilation problems !! (Wed Nov 14 2007 - 01:22:15 PST)
- AMBER: Parallel Amber compilation problems !! (Tue Nov 13 2007 - 06:05:28 PST)
san_amber roy
- AMBER: divcon (Thu Nov 08 2007 - 09:19:41 PST)
Sandhya Tiwari
- AMBER: Minimum energy tolerance gradient setting for minimization (Tue Nov 06 2007 - 06:13:52 PST)
sanket deshmukh
- Re: AMBER: Re: antechamber problem (Wed Nov 28 2007 - 06:05:37 PST)
- Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) (Fri Nov 23 2007 - 15:30:11 PST)
- Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) (Thu Nov 08 2007 - 11:29:35 PST)
Scott Pendley
- Re: AMBER: heical content in simulations (Fri Nov 09 2007 - 12:25:18 PST)
Seongeun Yang
- Re: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 23:33:58 PDT)
- Re: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 03:59:01 PDT)
- Re: AMBER: &dipoles output in QM/MM simulations (Fri Nov 02 2007 - 02:07:04 PDT)
- AMBER: &dipoles output in QM/MM simulations (Thu Nov 01 2007 - 03:43:54 PDT)
Seth Lilavivat
- AMBER: predictive NOE generation (Tue Nov 27 2007 - 09:41:08 PST)
Shozeb Haider
- AMBER: Xleap and Hydrogens (Tue Nov 27 2007 - 06:38:56 PST)
Smooth Cutie
- AMBER: five-coordinated phosphorus (Fri Nov 16 2007 - 15:48:40 PST)
snoze pa
- Re: AMBER: Antechamber (Tue Nov 06 2007 - 11:04:05 PST)
- AMBER: Antechamber (Tue Nov 06 2007 - 08:02:39 PST)
Steve Seibold
- AMBER: DUMBFREQ (Mon Nov 05 2007 - 07:52:19 PST)
Steve Spronk
- RE: AMBER: Equilibration of protein complex in POPC membrane, the whole TIP3 solvated (Thu Nov 29 2007 - 06:44:33 PST)
- RE: Re: AMBER: Fwd: [chirality.c] Atom did not match (Mon Nov 19 2007 - 05:31:42 PST)
- RE: Re: AMBER: Fwd: [chirality.c] Atom did not match (Mon Nov 19 2007 - 05:28:07 PST)
sychen
- AMBER: How to decide extra-helical or intra-helical bulge conformation by PTRAJ ? (Sun Nov 04 2007 - 04:46:09 PST)
Syed Tarique Moin
- Re: AMBER: Error reading radii of Cu during ESP caculation. (Wed Nov 28 2007 - 22:26:39 PST)
- AMBER: Error reading radii of Cu during ESP caculation. (Wed Nov 28 2007 - 03:27:53 PST)
- AMBER: Protein containing iron. (Tue Nov 13 2007 - 03:16:48 PST)
Takao Kobayashi
- AMBER: Energy minimization problem of -SO3H group (Tue Nov 06 2007 - 02:17:35 PST)
Taufik Al-Sarraj
- AMBER: DNA on Si surface (Thu Nov 29 2007 - 15:20:12 PST)
- AMBER: [Fwd: Re: BOUNCE amber.scripps.edu: Non-member submission from [Taufik Al-Sarraj <taufik.alsarraj@utoronto.ca>]] (Wed Nov 28 2007 - 10:23:27 PST)
Thomas Cheatham
- Re: AMBER: ptraj frames maximum (Mon Nov 05 2007 - 15:54:37 PST)
Thomas Cheatham III
- Re: AMBER: ptraj hbond mask (Wed Nov 07 2007 - 13:00:40 PST)
Thomas Steinbrecher
- Re: AMBER: Solvation free energy (Mon Nov 19 2007 - 10:21:23 PST)
- Re: AMBER: Error when doing a TI simulation: "vlimit exceeded (Thu Nov 15 2007 - 17:52:47 PST)
- Re: AMBER: Error when doing a TI simulation: "vlimit exceeded (Thu Nov 15 2007 - 17:18:54 PST)
- Re: AMBER: Error when doing a TI simulation: "vlimit exceeded (Thu Nov 15 2007 - 09:06:03 PST)
- Re: AMBER: thermodynamic integration (Tue Nov 13 2007 - 08:36:15 PST)
tri nam Vo
- AMBER: Error in installing amber8 on Ubuntu (Wed Nov 28 2007 - 20:24:24 PST)
Vijay Manickam Achari
- AMBER: Error in reading number of frame in PTRAJ (Thu Nov 29 2007 - 01:20:12 PST)
- Re: AMBER: Understading of mdcrd file and pdb file.. (Sun Nov 18 2007 - 21:27:19 PST)
- AMBER: Understading of mdcrd file and pdb file.. (Thu Nov 15 2007 - 21:02:08 PST)
Vijay Singh
- AMBER: question with ptraj loop (Sat Nov 17 2007 - 08:06:53 PST)
- AMBER: error with amber9 production run. (Sat Nov 03 2007 - 07:10:52 PDT)
Vincent Bisetty
- AMBER: Restrained MD (amber9) (Mon Nov 26 2007 - 14:52:28 PST)
WANG,YING
- Re: AMBER: questions about smd of amber 9 (Wed Nov 28 2007 - 18:14:21 PST)
- AMBER: questions about smd of amber 9 (Wed Nov 28 2007 - 13:29:41 PST)
Wei Chen
- AMBER: problems with restart of smd simulation w/ jar=1 & nmr=1 (Thu Nov 29 2007 - 09:15:51 PST)
- Re: AMBER: questions about smd of amber 9 (Thu Nov 29 2007 - 08:28:34 PST)
- Re: AMBER: questions about smd of amber 9 (Wed Nov 28 2007 - 14:35:10 PST)
- Re: AMBER: question about ntx=5 (Sun Nov 25 2007 - 17:21:52 PST)
- AMBER: question about ntx=5 (Sun Nov 25 2007 - 11:21:44 PST)
- AMBER: restrain center of mass of one domain (Mon Nov 12 2007 - 15:14:11 PST)
wei zhang
- Re: AMBER: amber9 leap installation error on sgi_altix (Wed Nov 14 2007 - 08:05:26 PST)
- AMBER: amber9 leap installation error on sgi_altix (Tue Nov 13 2007 - 14:02:48 PST)
Xioling Chuang
- AMBER: Atom type definition (Thu Nov 22 2007 - 01:03:29 PST)
Xuebin Qiao
- Re: [Fwd: Re: AMBER: xleap patch for xorg-7.3 ??] (Wed Nov 14 2007 - 22:59:58 PST)
- Re: AMBER: xleap patch for xorg-7.3 ?? (Fri Nov 09 2007 - 06:26:38 PST)
Yamada, Takahiro
- AMBER: antechamber --> sander problem (Fri Nov 16 2007 - 12:18:18 PST)
Yong Duan
- RE: AMBER: invalid digit '*' in the input file (Mon Nov 12 2007 - 17:07:26 PST)
Yubo Fan
- AMBER: five-coordinated phosphorus (Sat Nov 17 2007 - 06:19:06 PST)

Amber Archive Nov 2007 by author