Amber Archive Dec 2008: by subject

Taufik Al-Sarraj (Mon Dec 22 2008 - 10:08:17 PST)
AMBER:
- Beale, John (Wed Dec 24 2008 - 05:19:48 PST)
- Ross Walker (Mon Dec 22 2008 - 08:41:23 PST)
- balaji nagarajan (Mon Dec 22 2008 - 05:36:38 PST)
AMBER: (no subject)
- ecustipp.163.com (Sun Dec 28 2008 - 23:58:20 PST)
- Rajendra P. OJHA (Fri Dec 26 2008 - 04:35:12 PST)
- Scott Brozell (Tue Dec 09 2008 - 07:17:06 PST)
- Ross Walker (Tue Dec 09 2008 - 07:07:18 PST)
- waleed zalloum (Tue Dec 09 2008 - 04:22:39 PST)
AMBER: a question about ff03ua
- David A. Case (Thu Dec 25 2008 - 13:01:56 PST)
- oguz gurbulak (Thu Dec 25 2008 - 06:06:33 PST)
AMBER: about mmpbsa out data
- ecustipp (Wed Dec 24 2008 - 01:11:50 PST)
- steinbrt.rci.rutgers.edu (Tue Dec 23 2008 - 20:53:02 PST)
- ecustipp (Tue Dec 23 2008 - 18:21:22 PST)
AMBER: alascan error
- Larry Layne (Wed Dec 17 2008 - 12:19:22 PST)
AMBER: alascan MUTANT_KEEP error
- Larry Layne (Tue Dec 16 2008 - 11:07:51 PST)
AMBER: AMBER 10 PMEMD / SGI_MIPS
- Ross Walker (Tue Dec 16 2008 - 08:16:11 PST)
- Atro Tossavainen (Tue Dec 16 2008 - 04:17:48 PST)
- Robert Duke (Mon Dec 15 2008 - 07:26:12 PST)
- Atro Tossavainen (Mon Dec 15 2008 - 06:40:41 PST)
- Robert Duke (Mon Dec 15 2008 - 05:45:34 PST)
- Atro Tossavainen (Mon Dec 15 2008 - 04:51:16 PST)
AMBER: amber 9 compilation error with mvapich and intel compilers
- amit (Mon Dec 22 2008 - 10:15:34 PST)
- Ross Walker (Mon Dec 22 2008 - 09:46:58 PST)
- amit (Mon Dec 22 2008 - 09:12:41 PST)
- David A. Case (Mon Dec 22 2008 - 05:35:28 PST)
- Amit Bajaj (Sun Dec 21 2008 - 21:41:35 PST)
- David A. Case (Sat Dec 20 2008 - 14:42:28 PST)
- Amit Bajaj (Sat Dec 20 2008 - 06:17:03 PST)
AMBER: amber 9 compilation error with mvapich and intelcompilers
- Robert Duke (Mon Dec 22 2008 - 06:36:33 PST)
AMBER: AMBER minimization problems
- Robert Duke (Sat Dec 20 2008 - 16:10:03 PST)
- Lili Peng (Sat Dec 20 2008 - 15:53:54 PST)
- Ross Walker (Thu Dec 18 2008 - 09:46:45 PST)
- Lili Peng (Wed Dec 17 2008 - 08:35:58 PST)
- Ross Walker (Wed Dec 17 2008 - 08:18:06 PST)
- Lili Peng (Tue Dec 16 2008 - 23:14:00 PST)
AMBER: AMBER10 AMBERTools antechamber
- M. L. Dodson (Tue Dec 23 2008 - 12:00:13 PST)
- David A. Case (Tue Dec 23 2008 - 11:45:06 PST)
- Ross Walker (Tue Dec 23 2008 - 09:09:54 PST)
- M. L. Dodson (Tue Dec 23 2008 - 08:45:46 PST)
- Starr Hazard (Tue Dec 23 2008 - 08:36:05 PST)
AMBER: Building Amber 10 with Intel MKL and compiler mini howto
- Ben Eisenbraun (Wed Dec 10 2008 - 09:45:04 PST)
AMBER: building new ions
- FyD (Mon Dec 15 2008 - 06:09:04 PST)
- CHAMI F. (Mon Dec 15 2008 - 05:50:50 PST)
- CHAMI F. (Fri Dec 12 2008 - 04:23:20 PST)
AMBER: Calculating the dielectrostatic constant from simulation?
- Jeffrey (Mon Dec 15 2008 - 17:34:54 PST)
- Adrian Roitberg (Mon Dec 15 2008 - 05:44:09 PST)
- Jeffrey (Sun Dec 14 2008 - 23:07:25 PST)
AMBER: comparison of MD trajectories recorded with pmemd and sander
- Gustavo Seabra (Thu Dec 18 2008 - 06:58:13 PST)
- Robert Duke (Wed Dec 17 2008 - 09:02:25 PST)
- Robert Duke (Wed Dec 17 2008 - 09:20:40 PST)
- Robert Duke (Wed Dec 17 2008 - 09:18:46 PST)
- Thomas Cheatham III (Wed Dec 17 2008 - 09:16:47 PST)
- Ross Walker (Wed Dec 17 2008 - 09:01:37 PST)
- Robert Duke (Wed Dec 17 2008 - 08:42:07 PST)
- Adrian Roitberg (Wed Dec 17 2008 - 08:40:23 PST)
- Carlos Simmerling (Wed Dec 17 2008 - 07:12:32 PST)
- unknown charset (Wed Dec 17 2008 - 06:04:26 PST)
AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
- Atro Tossavainen (Mon Dec 15 2008 - 06:27:05 PST)
- David A. Case (Mon Dec 15 2008 - 04:54:33 PST)
- Atro Tossavainen (Mon Dec 15 2008 - 03:12:53 PST)
- Atro Tossavainen (Mon Dec 15 2008 - 02:06:51 PST)
- Atro Tossavainen (Mon Dec 15 2008 - 01:36:09 PST)
- Atro Tossavainen (Sun Dec 14 2008 - 12:11:53 PST)
- David A. Case (Sun Dec 14 2008 - 06:20:36 PST)
- Atro Tossavainen (Sat Dec 13 2008 - 14:12:30 PST)
- Atro Tossavainen (Sat Dec 13 2008 - 13:18:45 PST)
AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
- sychen (Fri Dec 05 2008 - 19:46:20 PST)
- Robert Duke (Fri Dec 05 2008 - 14:46:57 PST)
- David Watson (Fri Dec 05 2008 - 14:30:32 PST)
- David Watson (Fri Dec 05 2008 - 13:53:15 PST)
- Robert Duke (Fri Dec 05 2008 - 13:15:55 PST)
- Robert Duke (Fri Dec 05 2008 - 12:32:04 PST)
- David Watson (Fri Dec 05 2008 - 12:32:45 PST)
- Hazard, E. Starr (Fri Dec 05 2008 - 12:12:54 PST)
AMBER: compiling PMEMD spits out lots of -tp not supported and hangs @ pmemd.f90
- Starr Hazard (Fri Dec 05 2008 - 14:11:58 PST)
- Starr Hazard (Fri Dec 05 2008 - 13:10:11 PST)
- Starr Hazard (Fri Dec 05 2008 - 12:53:14 PST)
AMBER: Constant pH dynamics
- David A. Case (Tue Dec 09 2008 - 07:27:51 PST)
- Adrian Roitberg (Tue Dec 09 2008 - 08:24:17 PST)
- Beale, John (Tue Dec 09 2008 - 04:51:39 PST)
AMBER: definition of dihedral in amber
- Jeffrey (Thu Dec 25 2008 - 07:38:38 PST)
AMBER: distance restraint between non-bonded molecules
- Carlos Simmerling (Fri Dec 19 2008 - 07:24:09 PST)
- Ilyas Yildirim (Fri Dec 19 2008 - 07:22:32 PST)
- Taufik Al-Sarraj (Fri Dec 19 2008 - 07:14:51 PST)
- Ilyas Yildirim (Thu Dec 18 2008 - 13:29:26 PST)
- Taufik Al-Sarraj (Thu Dec 18 2008 - 12:41:05 PST)
- Ilyas Yildirim (Thu Dec 18 2008 - 11:29:30 PST)
- Taufik Al-Sarraj (Thu Dec 18 2008 - 08:49:51 PST)
- Carlos Simmerling (Thu Dec 18 2008 - 03:45:13 PST)
- Taufik Al-Sarraj (Wed Dec 17 2008 - 16:13:36 PST)
AMBER: distance restraint between non-bonded molecules]
- Ilyas Yildirim (Sun Dec 21 2008 - 19:08:38 PST)
- Taufik Al-Sarraj (Sat Dec 20 2008 - 10:44:43 PST)
- Ilyas Yildirim (Fri Dec 19 2008 - 15:06:35 PST)
AMBER: distance restraint in minimization
- Taufik Al-Sarraj (Wed Dec 17 2008 - 12:16:18 PST)
- Taufik Al-Sarraj (Wed Dec 17 2008 - 11:34:22 PST)
- Taufik Al-Sarraj (Wed Dec 17 2008 - 10:52:01 PST)
- David A. Case (Wed Dec 17 2008 - 10:49:56 PST)
- Jifeng Wang (Wed Dec 17 2008 - 10:16:08 PST)
- Taufik Al-Sarraj (Wed Dec 17 2008 - 10:15:24 PST)
- luzhenw1.msu.edu (Wed Dec 17 2008 - 10:17:28 PST)
- Taufik Al-Sarraj (Wed Dec 17 2008 - 09:44:55 PST)
- luzhenw1.msu.edu (Wed Dec 17 2008 - 07:10:49 PST)
- Taufik Al-Sarraj (Tue Dec 16 2008 - 14:44:35 PST)
- Taufik Al-Sarraj (Tue Dec 16 2008 - 13:16:43 PST)
- David A. Case (Tue Dec 16 2008 - 11:57:44 PST)
- Taufik Al-Sarraj (Tue Dec 16 2008 - 10:46:22 PST)
AMBER: Distorted ring...
- Carlos Simmerling (Thu Dec 11 2008 - 04:15:57 PST)
- Waqas Nasir (Thu Dec 11 2008 - 03:48:45 PST)
AMBER: DNA-Gold parameters
- Xioling Chuang (Wed Dec 03 2008 - 03:37:55 PST)
AMBER: DNA: GB solvent with salt
- Carlos Simmerling (Fri Dec 12 2008 - 03:33:14 PST)
- Catein Catherine (Fri Dec 12 2008 - 01:31:13 PST)
AMBER: Error: tutorial one for md simulation of DNA
- Catein Catherine (Sun Dec 21 2008 - 21:12:32 PST)
- balaji nagarajan (Sun Dec 21 2008 - 20:06:55 PST)
- Catein Catherine (Sun Dec 21 2008 - 19:33:41 PST)
AMBER: FAD RESP charges and parameters
- Cenk \(Jenk\) Andac (Tue Dec 30 2008 - 08:03:17 PST)
- FyD (Tue Dec 30 2008 - 06:19:15 PST)
- Cenk \(Jenk\) Andac (Tue Dec 30 2008 - 04:28:41 PST)
- FyD (Tue Dec 30 2008 - 00:45:01 PST)
- Cenk \(Jenk\) Andac (Mon Dec 29 2008 - 14:51:49 PST)
AMBER: ff99 (PK/IDIVF)
- Carlos Simmerling (Tue Dec 16 2008 - 04:01:32 PST)
- saurabh agrawal (Tue Dec 16 2008 - 03:47:09 PST)
- Carlos Simmerling (Sun Dec 14 2008 - 10:38:23 PST)
- saurabh agrawal (Sun Dec 14 2008 - 10:29:39 PST)
- Ross Walker (Fri Dec 12 2008 - 09:06:22 PST)
- Carlos Simmerling (Fri Dec 12 2008 - 06:05:11 PST)
- saurabh agrawal (Fri Dec 12 2008 - 05:26:58 PST)
AMBER: forrtl severe(174) error with minimization and md
- john smith (Mon Dec 15 2008 - 00:46:56 PST)
- Ross Walker (Wed Dec 10 2008 - 07:57:42 PST)
- john smith (Tue Dec 09 2008 - 22:20:57 PST)
AMBER: from dihe parameters to torsional energy
- Jeffrey (Wed Dec 17 2008 - 18:18:29 PST)
- Ross Walker (Wed Dec 17 2008 - 09:28:21 PST)
- Ilyas Yildirim (Wed Dec 17 2008 - 09:10:13 PST)
- Ross Walker (Wed Dec 17 2008 - 08:36:14 PST)
- Jeffrey (Wed Dec 17 2008 - 01:15:17 PST)
AMBER: GB offset for proteins
- David A. Case (Wed Dec 24 2008 - 11:11:21 PST)
- Sally Pias (Sun Dec 07 2008 - 21:14:58 PST)
AMBER: How do you evaluate forces on a fixed atom?
- Bill K (Tue Dec 02 2008 - 17:54:35 PST)
- David A. Case (Tue Dec 02 2008 - 06:39:37 PST)
- Bill K (Mon Dec 01 2008 - 10:45:42 PST)
AMBER: how to add new solvent type in Amber
- David A. Case (Wed Dec 10 2008 - 15:18:56 PST)
- iccy liu (Mon Dec 08 2008 - 16:23:11 PST)
AMBER: How to build a cubic box of a newly synthesized compound?
- M. L. Dodson (Wed Dec 24 2008 - 09:45:23 PST)
- Jeffrey (Tue Dec 23 2008 - 22:34:13 PST)
AMBER: Hydroxide ion in POL3 water
- D.J. Cole (Thu Dec 18 2008 - 04:13:58 PST)
AMBER: idecomp=2 & RRES/LRES group specification
- In Hee Park (Fri Dec 19 2008 - 17:19:43 PST)
AMBER: Initial velocities based on date and time are NOT changing ?
- Markus Kaukonen (Tue Dec 16 2008 - 01:41:40 PST)
- David A. Case (Mon Dec 15 2008 - 05:38:03 PST)
- Markus Kaukonen (Mon Dec 15 2008 - 05:14:38 PST)
AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
- wl2290.columbia.edu (Tue Dec 30 2008 - 14:15:59 PST)
- David A. Case (Tue Dec 30 2008 - 13:31:56 PST)
- wl2290.columbia.edu (Tue Dec 30 2008 - 09:54:58 PST)
- wl2290.columbia.edu (Tue Dec 23 2008 - 07:52:39 PST)
- David A. Case (Tue Dec 23 2008 - 05:26:15 PST)
- wl2290.columbia.edu (Mon Dec 22 2008 - 15:26:10 PST)
- David A. Case (Sat Dec 20 2008 - 15:48:23 PST)
- wl2290.columbia.edu (Fri Dec 19 2008 - 10:16:39 PST)
AMBER: installation amber9 in fedora9
- sobereva (Tue Dec 23 2008 - 01:52:00 PST)
- Scott Brozell (Mon Dec 22 2008 - 21:41:22 PST)
- Vijay Manickam Achari (Mon Dec 22 2008 - 20:44:12 PST)
AMBER: installation amber9 in fedora9 using bash shell
- David A. Case (Wed Dec 24 2008 - 11:07:35 PST)
- Vijay Manickam Achari (Tue Dec 23 2008 - 20:05:28 PST)
AMBER: interaction energies
- David A. Case (Mon Dec 08 2008 - 08:59:28 PST)
- Marina Grabar (Mon Dec 08 2008 - 03:29:36 PST)
AMBER: Is there an easy way to calculate the electric field at the center of a group of atoms
- David A. Case (Mon Dec 01 2008 - 07:34:47 PST)
AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
- Robert Duke (Tue Dec 16 2008 - 05:55:47 PST)
- Robert Duke (Tue Dec 16 2008 - 06:56:13 PST)
- unknown charset (Tue Dec 16 2008 - 04:57:05 PST)
- Ross Walker (Mon Dec 15 2008 - 07:18:04 PST)
- unknown charset (Mon Dec 15 2008 - 06:41:55 PST)
AMBER: ld: cannot find -lgcc_s
- David A. Case (Fri Dec 12 2008 - 06:26:00 PST)
- moitrayee.mbu.iisc.ernet.in (Fri Dec 12 2008 - 05:52:08 PST)
AMBER: LINMIN error in geometrically constrained minimization . MM-PB/SA conditions
- Alexander Metz (Thu Dec 04 2008 - 09:04:03 PST)
AMBER: makeDIST_RST computation of r3 value with IAT < 0
- David A. Case (Fri Dec 05 2008 - 08:45:20 PST)
- Ryan Pavlovicz (Wed Dec 03 2008 - 15:13:32 PST)
AMBER: makeDIST_RST error -- no map function for HH TYR
- David A. Case (Mon Dec 01 2008 - 13:22:46 PST)
- Ryan Pavlovicz (Mon Dec 01 2008 - 11:30:01 PST)
AMBER: Materials and methods
- Taufik Al-Sarraj (Mon Dec 22 2008 - 10:05:22 PST)
AMBER: mdout file details
- David A. Case (Wed Dec 31 2008 - 08:50:05 PST)
- aneesh cna (Mon Dec 29 2008 - 22:20:40 PST)
AMBER: MM-PBSA : bad atom type: ZN
- jitrayut jitonnom (Mon Dec 08 2008 - 08:51:12 PST)
AMBER: MM/GBSA Error during deccomposition
- N.R. Jena (Thu Dec 04 2008 - 20:13:44 PST)
- N.R. Jena (Thu Dec 04 2008 - 05:08:45 PST)
- Cristina Sisu (Thu Dec 04 2008 - 03:27:48 PST)
- N.R. Jena (Thu Dec 04 2008 - 03:01:36 PST)
- Barbault Florent (Wed Dec 03 2008 - 12:32:14 PST)
- N.R. Jena (Wed Dec 03 2008 - 04:01:04 PST)
AMBER: mpirun Permission denied.
- David Watson (Tue Dec 30 2008 - 21:04:40 PST)
- Jackie. J. Shen (Tue Dec 30 2008 - 18:32:17 PST)
- drugdesign (Wed Dec 24 2008 - 22:49:31 PST)
AMBER: mwcovar limit?
- Ross Walker (Wed Dec 31 2008 - 20:44:33 PST)
- Carra, Claudio (JSC-SK)[USRA] (Mon Dec 29 2008 - 14:31:27 PST)
AMBER: N(CN2)- ion
- babak minoofar (Fri Dec 12 2008 - 01:29:54 PST)
- David A. Case (Fri Dec 05 2008 - 04:23:05 PST)
- babak minoofar (Thu Dec 04 2008 - 08:00:58 PST)
- David A. Case (Mon Dec 01 2008 - 06:47:14 PST)
AMBER: parallel installation
- David A. Case (Wed Dec 10 2008 - 05:09:00 PST)
- balaji nagarajan (Tue Dec 09 2008 - 19:56:20 PST)
AMBER: periodic boundary
- Sally Pias (Wed Dec 31 2008 - 00:37:25 PST)
AMBER: Playstation 3 Benchmarks
- Ross Walker (Mon Dec 22 2008 - 17:20:38 PST)
- David Watson (Mon Dec 22 2008 - 17:17:57 PST)
- Andrew Ring (Mon Dec 22 2008 - 16:40:44 PST)
AMBER: prep files ATP-MG++ and for phosphorylated threonine
- mirzo.jinr.ru (Tue Dec 09 2008 - 02:23:08 PST)
- Anselm Horn (Tue Dec 09 2008 - 02:06:17 PST)
- mirzo.jinr.ru (Tue Dec 09 2008 - 00:01:42 PST)
AMBER: pressure component
- chengtao.sjtu.edu.cn (Tue Dec 16 2008 - 00:42:00 PST)
- David A. Case (Mon Dec 15 2008 - 04:43:44 PST)
- chengtao.sjtu.edu.cn (Mon Dec 15 2008 - 00:17:21 PST)
AMBER: Problem running NEB in AMBER10
- Chris C. (Wed Dec 03 2008 - 10:29:48 PST)
AMBER: Problem with MMPBSA
- Ray Luo (Mon Dec 08 2008 - 11:47:15 PST)
- Daniel Emery (Mon Dec 08 2008 - 08:28:22 PST)
AMBER: problem with toturial A3 (MM-PBSA)
- Carlos Simmerling (Tue Dec 16 2008 - 05:57:42 PST)
- Maryam Hamzehee (Sun Dec 14 2008 - 03:25:00 PST)
- Carlos Simmerling (Sat Dec 13 2008 - 07:35:13 PST)
- Maryam Hamzehee (Sat Dec 13 2008 - 07:22:58 PST)
AMBER: ptraj: how to select all non-hydrogen atoms
- Hannes Kopitz (Wed Dec 03 2008 - 12:27:33 PST)
- Mingfeng Yang (Wed Dec 03 2008 - 11:37:00 PST)
AMBER: Pulling using restraintmask
- Alessandro Nascimento (Thu Dec 11 2008 - 12:58:51 PST)
- Dirar Homouz (Thu Dec 11 2008 - 12:30:00 PST)
AMBER: QM/MM and unpaired spin
- Gustavo Seabra (Wed Dec 03 2008 - 05:53:00 PST)
- Ross Walker (Tue Dec 02 2008 - 19:42:37 PST)
- Gustavo Seabra (Tue Dec 02 2008 - 19:11:25 PST)
- Ross Walker (Mon Dec 01 2008 - 08:40:20 PST)
- Markus Kaukonen (Sun Nov 30 2008 - 23:30:02 PST)
AMBER: Radial Distribution Function
- Gustavo Seabra (Sun Dec 14 2008 - 23:41:02 PST)
- prabhakar g (Fri Dec 12 2008 - 18:31:48 PST)
- Gustavo Seabra (Wed Dec 10 2008 - 05:49:42 PST)
- prabhakar g (Tue Dec 09 2008 - 19:33:27 PST)
- Gustavo Seabra (Tue Dec 09 2008 - 07:38:54 PST)
- prabhakar g (Mon Dec 08 2008 - 18:37:52 PST)
AMBER: reg unstability of structure in md
- Carlos Simmerling (Fri Dec 05 2008 - 03:41:40 PST)
- N.R. Jena (Thu Dec 04 2008 - 22:48:50 PST)
- balaji nagarajan (Thu Dec 04 2008 - 20:32:21 PST)
- Carlos Simmerling (Thu Dec 04 2008 - 03:28:12 PST)
- balaji nagarajan (Wed Dec 03 2008 - 20:17:51 PST)
AMBER: reg-adding ions
- Ross Walker (Tue Dec 09 2008 - 07:05:04 PST)
- balaji nagarajan (Mon Dec 08 2008 - 20:32:14 PST)
- Ross Walker (Mon Dec 08 2008 - 08:33:18 PST)
- balaji nagarajan (Mon Dec 08 2008 - 00:20:05 PST)
AMBER: reg-antichamber run
- FyD (Thu Dec 11 2008 - 01:57:26 PST)
- David A. Case (Wed Dec 10 2008 - 15:14:31 PST)
- balaji nagarajan (Wed Dec 10 2008 - 09:08:17 PST)
AMBER: reg.building ions
- David A. Case (Fri Dec 12 2008 - 04:42:28 PST)
- balaji nagarajan (Fri Dec 12 2008 - 04:14:57 PST)
- David A. Case (Fri Dec 12 2008 - 04:04:58 PST)
- balaji nagarajan (Fri Dec 12 2008 - 02:40:07 PST)
AMBER: reg.concentration of ions
- balaji nagarajan (Fri Dec 12 2008 - 08:34:49 PST)
AMBER: reg.dnasaveparm&tcrd
- balaji nagarajan (Mon Dec 01 2008 - 08:56:44 PST)
- balaji nagarajan (Mon Dec 01 2008 - 08:51:00 PST)
- Ross Walker (Mon Dec 01 2008 - 08:44:57 PST)
- David A. Case (Mon Dec 01 2008 - 06:29:41 PST)
- balaji nagarajan (Mon Dec 01 2008 - 06:05:52 PST)
AMBER: regad-tutorial-dna-polyAT
- balaji nagarajan (Sun Dec 07 2008 - 22:40:39 PST)
- jani sahil (Sun Dec 07 2008 - 21:13:30 PST)
- balaji nagarajan (Sun Dec 07 2008 - 20:45:10 PST)
AMBER: relative weight of RDC constraints
- David A. Case (Mon Dec 15 2008 - 08:44:19 PST)
- David Witte (Mon Dec 15 2008 - 08:21:34 PST)
AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III
- FyD (Tue Dec 16 2008 - 04:17:15 PST)
- ABEL Stephane 175950 (Tue Dec 16 2008 - 03:28:56 PST)
AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems
- FyD (Fri Dec 12 2008 - 10:24:25 PST)
- ABEL Stephane 175950 (Fri Dec 12 2008 - 09:33:44 PST)
- FyD (Fri Dec 12 2008 - 09:14:05 PST)
- Jifeng Wang (Fri Dec 12 2008 - 08:50:56 PST)
- ABEL Stephane 175950 (Fri Dec 12 2008 - 08:41:19 PST)
AMBER: RESP GAUSSIAN AMBER
- FyD (Wed Dec 17 2008 - 01:12:38 PST)
- FyD (Mon Dec 15 2008 - 14:05:46 PST)
- M. L. Dodson (Mon Dec 15 2008 - 13:36:08 PST)
- FyD (Mon Dec 15 2008 - 12:41:24 PST)
- M. L. Dodson (Mon Dec 15 2008 - 09:52:48 PST)
- Ross Walker (Mon Dec 15 2008 - 09:36:27 PST)
- Brent Krueger (Sun Dec 14 2008 - 18:52:14 PST)
- FyD (Sat Dec 13 2008 - 00:02:23 PST)
- FyD (Fri Dec 12 2008 - 23:23:10 PST)
- Piotr Cieplak (Fri Dec 12 2008 - 12:12:20 PST)
- Ross Walker (Fri Dec 12 2008 - 11:04:49 PST)
- FyD (Fri Dec 12 2008 - 07:16:01 PST)
- FyD (Fri Dec 12 2008 - 06:25:06 PST)
- Francesco Pietra (Fri Dec 12 2008 - 03:13:13 PST)
- Ross Walker (Thu Dec 11 2008 - 20:00:27 PST)
- FyD (Thu Dec 11 2008 - 03:42:20 PST)
- SilasConnor.gmx.at (Mon Dec 08 2008 - 10:31:24 PST)
AMBER: restraintmask - reference file is not working
- Dirar Homouz (Thu Dec 18 2008 - 15:46:23 PST)
- Carlos Simmerling (Thu Dec 18 2008 - 04:14:27 PST)
- Carlos Simmerling (Wed Dec 17 2008 - 11:51:35 PST)
- Dirar Homouz (Wed Dec 17 2008 - 11:40:48 PST)
- Carlos Simmerling (Wed Dec 17 2008 - 05:19:25 PST)
- Dirar Homouz (Wed Dec 17 2008 - 01:41:00 PST)
- Carlos Simmerling (Tue Dec 16 2008 - 17:05:03 PST)
- Dirar Homouz (Tue Dec 16 2008 - 16:51:08 PST)
- Dirar Homouz (Tue Dec 16 2008 - 16:45:44 PST)
- Carlos Simmerling (Tue Dec 16 2008 - 16:38:14 PST)
- Dirar Homouz (Tue Dec 16 2008 - 16:05:24 PST)
AMBER: RMS plot
- Beale, John (Wed Dec 31 2008 - 11:11:39 PST)
AMBER: Running Amber8 - Sander
- David A. Case (Mon Dec 01 2008 - 07:37:32 PST)
AMBER: Running md using glycam in AMBER
- Matthew Tessier (Thu Dec 11 2008 - 12:52:28 PST)
- Neha Gandhi (Wed Dec 10 2008 - 23:15:54 PST)
AMBER: seeking help regrading Zinc protein GBSA minimization
- Carlos Simmerling (Mon Dec 01 2008 - 03:16:02 PST)
- Sergey Samsonov (Mon Dec 01 2008 - 00:14:36 PST)
AMBER: sgi4700 the time of MD simulation is 30 minute for 1ps about 2500 atom using 1cpu
- steinbrt.rci.rutgers.edu (Sat Dec 13 2008 - 10:58:18 PST)
- llduan.itcc.nju.edu.cn (Sat Dec 13 2008 - 06:36:45 PST)
AMBER: side chain expression
- Yunierkis Perez Castillo (Thu Dec 04 2008 - 08:43:14 PST)
AMBER: Simulating peptide linkers with AMBER
- Sasha Buzko (Tue Dec 02 2008 - 12:03:42 PST)
AMBER: SMD-related questions
- Jackie. J. Shen (Tue Dec 30 2008 - 18:27:16 PST)
- M. L. Dodson (Mon Dec 29 2008 - 10:25:19 PST)
- Alessandro Nascimento (Mon Dec 29 2008 - 05:07:05 PST)
AMBER: Solvatebox problem
- David A. Case (Fri Dec 19 2008 - 05:19:18 PST)
- musa özboyacı (Fri Dec 19 2008 - 02:24:56 PST)
AMBER: solvent box again
- iccy liu (Thu Dec 18 2008 - 11:41:41 PST)
- David A. Case (Tue Dec 16 2008 - 12:02:05 PST)
- Ross Walker (Tue Dec 16 2008 - 10:57:01 PST)
- iccy liu (Tue Dec 16 2008 - 10:32:32 PST)
AMBER: subroutine Work : Jarynski work theorem
- Gustavo Seabra (Wed Dec 03 2008 - 05:59:06 PST)
AMBER: Switching function in NAMD
- Adrian Roitberg (Tue Dec 23 2008 - 11:56:58 PST)
- musa özboyacı (Tue Dec 23 2008 - 11:52:37 PST)
AMBER: tutorial A1, file missing readit.f
- David A. Case (Thu Dec 11 2008 - 05:19:38 PST)
- ABEL Stephane 175950 (Thu Dec 11 2008 - 04:22:41 PST)
AMBER: unable to open pdb file
- David A. Case (Thu Dec 04 2008 - 03:41:32 PST)
- Taufik Al-Sarraj (Wed Dec 03 2008 - 18:44:09 PST)
AMBER: unsubscribe amber
- Prem Prakash Pathak (Tue Dec 16 2008 - 19:09:54 PST)
AMBER: using packmol file in Amber
- Gustavo Seabra (Mon Dec 15 2008 - 08:39:53 PST)
- oguz gurbulak (Mon Dec 15 2008 - 07:57:08 PST)
- David A. Case (Fri Dec 05 2008 - 07:58:51 PST)
- oguz gurbulak (Fri Dec 05 2008 - 07:49:39 PST)
- David A. Case (Thu Dec 04 2008 - 08:32:49 PST)
- oguz gurbulak (Thu Dec 04 2008 - 07:36:03 PST)
- David A. Case (Tue Dec 02 2008 - 06:19:20 PST)
- oguz gurbulak (Tue Dec 02 2008 - 06:02:59 PST)
- David A. Case (Tue Dec 02 2008 - 04:14:47 PST)
- oguz gurbulak (Tue Dec 02 2008 - 03:06:10 PST)
AMBER: Variable PBCAL values in MM-PBSA calculations
- Daniel Oehme (Sun Dec 07 2008 - 21:56:58 PST)
- Ray Luo (Thu Dec 04 2008 - 11:06:45 PST)
- Daniel Oehme (Wed Dec 03 2008 - 22:34:42 PST)
- Ray Luo (Mon Dec 01 2008 - 17:55:37 PST)
- Daniel Oehme (Mon Dec 01 2008 - 15:45:23 PST)
AMBER: vertex atom mismatch
- ecustipp (Fri Dec 26 2008 - 02:09:45 PST)
AMBER: xleap (measureGeom)
- Scott Brozell (Mon Dec 22 2008 - 14:10:46 PST)
- Taufik Al-Sarraj (Sat Dec 20 2008 - 13:02:56 PST)
AMBER: xleap error
- David A. Case (Wed Dec 24 2008 - 11:02:11 PST)
- Vijay Manickam Achari (Wed Dec 24 2008 - 01:58:17 PST)
bugfix 11 & 12
- Ross Walker (Mon Dec 08 2008 - 13:12:42 PST)

Amber Archive Dec 2008 by subject