Amber Archive Dec 2008 by thread
340 messages
:
Starting
Fri Dec 05 2008 - 18:19:53 PST,
Ending
Fri Jan 02 2009 - 01:12:40 PST
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AMBER: QM/MM and unpaired spin
Markus Kaukonen
(Sun Nov 30 2008 - 23:30:02 PST)
RE: AMBER: QM/MM and unpaired spin
Ross Walker
(Mon Dec 01 2008 - 08:40:20 PST)
Re: AMBER: QM/MM and unpaired spin
Gustavo Seabra
(Tue Dec 02 2008 - 19:11:25 PST)
RE: AMBER: QM/MM and unpaired spin
Ross Walker
(Tue Dec 02 2008 - 19:42:37 PST)
AMBER: DNA-Gold parameters
Xioling Chuang
(Wed Dec 03 2008 - 03:37:55 PST)
Re: AMBER: QM/MM and unpaired spin
Gustavo Seabra
(Wed Dec 03 2008 - 05:53:00 PST)
Re: AMBER: seeking help regrading Zinc protein GBSA minimization
Sergey Samsonov
(Mon Dec 01 2008 - 00:14:36 PST)
Re: AMBER: seeking help regrading Zinc protein GBSA minimization
Carlos Simmerling
(Mon Dec 01 2008 - 03:16:02 PST)
AMBER: reg.dnasaveparm&tcrd
balaji nagarajan
(Mon Dec 01 2008 - 06:05:52 PST)
Re: AMBER: reg.dnasaveparm&tcrd
David A. Case
(Mon Dec 01 2008 - 06:29:41 PST)
RE: AMBER: reg.dnasaveparm&tcrd
balaji nagarajan
(Mon Dec 01 2008 - 08:51:00 PST)
RE: AMBER: reg.dnasaveparm&tcrd
Ross Walker
(Mon Dec 01 2008 - 08:44:57 PST)
RE: AMBER: reg.dnasaveparm&tcrd
balaji nagarajan
(Mon Dec 01 2008 - 08:56:44 PST)
Re: AMBER: N(CN2)- ion
David A. Case
(Mon Dec 01 2008 - 06:47:14 PST)
Re: AMBER: N(CN2)- ion
babak minoofar
(Thu Dec 04 2008 - 08:00:58 PST)
Re: AMBER: N(CN2)- ion
David A. Case
(Fri Dec 05 2008 - 04:23:05 PST)
Re: AMBER: N(CN2)- ion
babak minoofar
(Fri Dec 12 2008 - 01:29:54 PST)
Re: 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)
Re: AMBER: Running Amber8 - Sander
David A. Case
(Mon Dec 01 2008 - 07:37:32 PST)
AMBER: How do you evaluate forces on a fixed atom?
Bill K
(Mon Dec 01 2008 - 10:45:42 PST)
Re: AMBER: How do you evaluate forces on a fixed atom?
David A. Case
(Tue Dec 02 2008 - 06:39:37 PST)
Re: AMBER: How do you evaluate forces on a fixed atom?
Bill K
(Tue Dec 02 2008 - 17:54:35 PST)
AMBER: makeDIST_RST error -- no map function for HH TYR
Ryan Pavlovicz
(Mon Dec 01 2008 - 11:30:01 PST)
Re: AMBER: makeDIST_RST error -- no map function for HH TYR
David A. Case
(Mon Dec 01 2008 - 13:22:46 PST)
AMBER: Variable PBCAL values in MM-PBSA calculations
Daniel Oehme
(Mon Dec 01 2008 - 15:45:23 PST)
RE: AMBER: Variable PBCAL values in MM-PBSA calculations
Ray Luo
(Mon Dec 01 2008 - 17:55:37 PST)
Re: AMBER: Variable PBCAL values in MM-PBSA calculations
Daniel Oehme
(Wed Dec 03 2008 - 22:34:42 PST)
RE: AMBER: Variable PBCAL values in MM-PBSA calculations
Ray Luo
(Thu Dec 04 2008 - 11:06:45 PST)
Re: AMBER: Variable PBCAL values in MM-PBSA calculations
Daniel Oehme
(Sun Dec 07 2008 - 21:56:58 PST)
Re: AMBER: using packmol file in Amber
oguz gurbulak
(Tue Dec 02 2008 - 03:06:10 PST)
Re: AMBER: using packmol file in Amber
David A. Case
(Tue Dec 02 2008 - 04:14:47 PST)
Re: AMBER: using packmol file in Amber
oguz gurbulak
(Tue Dec 02 2008 - 06:02:59 PST)
Re: AMBER: using packmol file in Amber
David A. Case
(Tue Dec 02 2008 - 06:19:20 PST)
Re: AMBER: using packmol file in Amber
oguz gurbulak
(Thu Dec 04 2008 - 07:36:03 PST)
Re: AMBER: using packmol file in Amber
David A. Case
(Thu Dec 04 2008 - 08:32:49 PST)
Re: AMBER: using packmol file in Amber
oguz gurbulak
(Fri Dec 05 2008 - 07:49:39 PST)
Re: AMBER: using packmol file in Amber
David A. Case
(Fri Dec 05 2008 - 07:58:51 PST)
Re: AMBER: using packmol file in Amber
oguz gurbulak
(Mon Dec 15 2008 - 07:57:08 PST)
Re: AMBER: using packmol file in Amber
Gustavo Seabra
(Mon Dec 15 2008 - 08:39:53 PST)
AMBER: Simulating peptide linkers with AMBER
Sasha Buzko
(Tue Dec 02 2008 - 12:03:42 PST)
AMBER: MM/GBSA Error during deccomposition
N.R. Jena
(Wed Dec 03 2008 - 04:01:04 PST)
Re: AMBER: MM/GBSA Error during deccomposition
Barbault Florent
(Wed Dec 03 2008 - 12:32:14 PST)
Re: AMBER: MM/GBSA Error during deccomposition
N.R. Jena
(Thu Dec 04 2008 - 03:01:36 PST)
Re: AMBER: MM/GBSA Error during deccomposition
Cristina Sisu
(Thu Dec 04 2008 - 03:27:48 PST)
Re: AMBER: MM/GBSA Error during deccomposition
N.R. Jena
(Thu Dec 04 2008 - 05:08:45 PST)
Re: AMBER: MM/GBSA Error during deccomposition
N.R. Jena
(Thu Dec 04 2008 - 20:13:44 PST)
Re: AMBER: subroutine Work : Jarynski work theorem
Gustavo Seabra
(Wed Dec 03 2008 - 05:59:06 PST)
Re: AMBER: Problem running NEB in AMBER10
Chris C.
(Wed Dec 03 2008 - 10:29:48 PST)
AMBER: ptraj: how to select all non-hydrogen atoms
Mingfeng Yang
(Wed Dec 03 2008 - 11:37:00 PST)
Re: AMBER: ptraj: how to select all non-hydrogen atoms
Hannes Kopitz
(Wed Dec 03 2008 - 12:27:33 PST)
AMBER: unable to open pdb file
Taufik Al-Sarraj
(Wed Dec 03 2008 - 18:44:09 PST)
Re: AMBER: unable to open pdb file
David A. Case
(Thu Dec 04 2008 - 03:41:32 PST)
AMBER: reg unstability of structure in md
balaji nagarajan
(Wed Dec 03 2008 - 20:17:51 PST)
Re: AMBER: reg unstability of structure in md
Carlos Simmerling
(Thu Dec 04 2008 - 03:28:12 PST)
RE: AMBER: reg unstability of structure in md
balaji nagarajan
(Thu Dec 04 2008 - 20:32:21 PST)
Re: AMBER: reg unstability of structure in md
N.R. Jena
(Thu Dec 04 2008 - 22:48:50 PST)
Re: AMBER: reg unstability of structure in md
Carlos Simmerling
(Fri Dec 05 2008 - 03:41:40 PST)
AMBER: makeDIST_RST computation of r3 value with IAT < 0
Ryan Pavlovicz
(Wed Dec 03 2008 - 15:13:32 PST)
Re: AMBER: makeDIST_RST computation of r3 value with IAT < 0
David A. Case
(Fri Dec 05 2008 - 08:45:20 PST)
AMBER: side chain expression
Yunierkis Perez Castillo
(Thu Dec 04 2008 - 08:43:14 PST)
AMBER: LINMIN error in geometrically constrained minimization . MM-PB/SA conditions
Alexander Metz
(Thu Dec 04 2008 - 09:04:03 PST)
AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
Hazard, E. Starr
(Fri Dec 05 2008 - 12:12:54 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
David Watson
(Fri Dec 05 2008 - 12:32:45 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs @ pmemd.f90
Starr Hazard
(Fri Dec 05 2008 - 13:10:11 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
Robert Duke
(Fri Dec 05 2008 - 13:15:55 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
David Watson
(Fri Dec 05 2008 - 13:53:15 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs @ pmemd.f90
Starr Hazard
(Fri Dec 05 2008 - 14:11:58 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
David Watson
(Fri Dec 05 2008 - 14:30:32 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
Robert Duke
(Fri Dec 05 2008 - 14:46:57 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
Robert Duke
(Fri Dec 05 2008 - 12:32:04 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs . pmemd.f90
sychen
(Fri Dec 05 2008 - 19:46:20 PST)
Re: AMBER: compiling PMEMD spits out lots of -tp not supported and hangs @ pmemd.f90
Starr Hazard
(Fri Dec 05 2008 - 12:53:14 PST)
AMBER: regad-tutorial-dna-polyAT
balaji nagarajan
(Sun Dec 07 2008 - 20:45:10 PST)
Re: AMBER: regad-tutorial-dna-polyAT
jani sahil
(Sun Dec 07 2008 - 21:13:30 PST)
RE: AMBER: regad-tutorial-dna-polyAT
balaji nagarajan
(Sun Dec 07 2008 - 22:40:39 PST)
AMBER: GB offset for proteins
Sally Pias
(Sun Dec 07 2008 - 21:14:58 PST)
Re: AMBER: GB offset for proteins
David A. Case
(Wed Dec 24 2008 - 11:11:21 PST)
AMBER: reg-adding ions
balaji nagarajan
(Mon Dec 08 2008 - 00:20:05 PST)
RE: AMBER: reg-adding ions
Ross Walker
(Mon Dec 08 2008 - 08:33:18 PST)
RE: AMBER: reg-adding ions
balaji nagarajan
(Mon Dec 08 2008 - 20:32:14 PST)
RE: AMBER: reg-adding ions
Ross Walker
(Tue Dec 09 2008 - 07:05:04 PST)
AMBER: interaction energies
Marina Grabar
(Mon Dec 08 2008 - 03:29:36 PST)
Re: AMBER: interaction energies
David A. Case
(Mon Dec 08 2008 - 08:59:28 PST)
AMBER: prep files ATP-MG++ and for phosphorylated threonine
mirzo.jinr.ru
(Tue Dec 09 2008 - 00:01:42 PST)
Re: AMBER: prep files ATP-MG++ and for phosphorylated threonine
Anselm Horn
(Tue Dec 09 2008 - 02:06:17 PST)
Re: AMBER: prep files ATP-MG++ and for phosphorylated threonine
mirzo.jinr.ru
(Tue Dec 09 2008 - 02:23:08 PST)
AMBER: Problem with MMPBSA
Daniel Emery
(Mon Dec 08 2008 - 08:28:22 PST)
RE: AMBER: Problem with MMPBSA
Ray Luo
(Mon Dec 08 2008 - 11:47:15 PST)
AMBER: MM-PBSA : bad atom type: ZN
jitrayut jitonnom
(Mon Dec 08 2008 - 08:51:12 PST)
AMBER: RESP GAUSSIAN AMBER
SilasConnor.gmx.at
(Mon Dec 08 2008 - 10:31:24 PST)
Re: AMBER: RESP GAUSSIAN AMBER
FyD
(Thu Dec 11 2008 - 03:42:20 PST)
RE: AMBER: RESP GAUSSIAN AMBER
Ross Walker
(Thu Dec 11 2008 - 20:00:27 PST)
AMBER: DNA: GB solvent with salt
Catein Catherine
(Fri Dec 12 2008 - 01:31:13 PST)
Re: AMBER: DNA: GB solvent with salt
Carlos Simmerling
(Fri Dec 12 2008 - 03:33:14 PST)
Re: AMBER: RESP GAUSSIAN AMBER
Francesco Pietra
(Fri Dec 12 2008 - 03:13:13 PST)
Re: AMBER: RESP GAUSSIAN AMBER
FyD
(Fri Dec 12 2008 - 07:16:01 PST)
RE: AMBER: RESP GAUSSIAN AMBER
FyD
(Fri Dec 12 2008 - 06:25:06 PST)
RE: AMBER: RESP GAUSSIAN AMBER
Ross Walker
(Fri Dec 12 2008 - 11:04:49 PST)
RE: AMBER: RESP GAUSSIAN AMBER
Piotr Cieplak
(Fri Dec 12 2008 - 12:12:20 PST)
RE: AMBER: RESP GAUSSIAN AMBER
FyD
(Fri Dec 12 2008 - 23:23:10 PST)
Re: AMBER: RESP GAUSSIAN AMBER
Brent Krueger
(Sun Dec 14 2008 - 18:52:14 PST)
RE: AMBER: RESP GAUSSIAN AMBER
Ross Walker
(Mon Dec 15 2008 - 09:36:27 PST)
Re: AMBER: RESP GAUSSIAN AMBER
M. L. Dodson
(Mon Dec 15 2008 - 09:52:48 PST)
Re: AMBER: RESP GAUSSIAN AMBER
FyD
(Mon Dec 15 2008 - 12:41:24 PST)
Re: AMBER: RESP GAUSSIAN AMBER
M. L. Dodson
(Mon Dec 15 2008 - 13:36:08 PST)
Re: AMBER: RESP GAUSSIAN AMBER
FyD
(Mon Dec 15 2008 - 14:05:46 PST)
RE: AMBER: RESP GAUSSIAN AMBER
FyD
(Wed Dec 17 2008 - 01:12:38 PST)
RE: AMBER: RESP GAUSSIAN AMBER
FyD
(Sat Dec 13 2008 - 00:02:23 PST)
AMBER: RE: bugfix 11 & 12
Ross Walker
(Mon Dec 08 2008 - 13:12:42 PST)
AMBER: how to add new solvent type in Amber
iccy liu
(Mon Dec 08 2008 - 16:23:11 PST)
Re: AMBER: how to add new solvent type in Amber
David A. Case
(Wed Dec 10 2008 - 15:18:56 PST)
AMBER: solvent box again
iccy liu
(Tue Dec 16 2008 - 10:32:32 PST)
RE: AMBER: solvent box again
Ross Walker
(Tue Dec 16 2008 - 10:57:01 PST)
RE: AMBER: solvent box again
iccy liu
(Thu Dec 18 2008 - 11:41:41 PST)
Re: AMBER: solvent box again
David A. Case
(Tue Dec 16 2008 - 12:02:05 PST)
AMBER: Radial Distribution Function
prabhakar g
(Mon Dec 08 2008 - 18:37:52 PST)
Re: AMBER: Radial Distribution Function
Gustavo Seabra
(Tue Dec 09 2008 - 07:38:54 PST)
Re: AMBER: Radial Distribution Function
prabhakar g
(Tue Dec 09 2008 - 19:33:27 PST)
Re: AMBER: Radial Distribution Function
Gustavo Seabra
(Wed Dec 10 2008 - 05:49:42 PST)
Re: AMBER: Radial Distribution Function
prabhakar g
(Fri Dec 12 2008 - 18:31:48 PST)
Re: AMBER: Radial Distribution Function
Gustavo Seabra
(Sun Dec 14 2008 - 23:41:02 PST)
AMBER: (no subject)
waleed zalloum
(Tue Dec 09 2008 - 04:22:39 PST)
RE: AMBER: (no subject)
Ross Walker
(Tue Dec 09 2008 - 07:07:18 PST)
RE: AMBER: (no subject)
Scott Brozell
(Tue Dec 09 2008 - 07:17:06 PST)
AMBER: Constant pH dynamics
Beale, John
(Tue Dec 09 2008 - 04:51:39 PST)
Re: AMBER: Constant pH dynamics
Adrian Roitberg
(Tue Dec 09 2008 - 08:24:17 PST)
Re: AMBER: Constant pH dynamics
David A. Case
(Tue Dec 09 2008 - 07:27:51 PST)
AMBER: parallel installation
balaji nagarajan
(Tue Dec 09 2008 - 19:56:20 PST)
Re: AMBER: parallel installation
David A. Case
(Wed Dec 10 2008 - 05:09:00 PST)
AMBER: forrtl severe(174) error with minimization and md
john smith
(Tue Dec 09 2008 - 22:20:57 PST)
RE: AMBER: forrtl severe(174) error with minimization and md
Ross Walker
(Wed Dec 10 2008 - 07:57:42 PST)
Re: AMBER: forrtl severe(174) error with minimization and md
john smith
(Mon Dec 15 2008 - 00:46:56 PST)
AMBER: reg-antichamber run
balaji nagarajan
(Wed Dec 10 2008 - 09:08:17 PST)
Re: AMBER: reg-antichamber run
David A. Case
(Wed Dec 10 2008 - 15:14:31 PST)
Re: AMBER: reg-antichamber run
FyD
(Thu Dec 11 2008 - 01:57:26 PST)
AMBER: Building Amber 10 with Intel MKL and compiler mini howto
Ben Eisenbraun
(Wed Dec 10 2008 - 09:45:04 PST)
AMBER: Running md using glycam in AMBER
Neha Gandhi
(Wed Dec 10 2008 - 23:15:54 PST)
RE: AMBER: Running md using glycam in AMBER
Matthew Tessier
(Thu Dec 11 2008 - 12:52:28 PST)
AMBER: Distorted ring...
Waqas Nasir
(Thu Dec 11 2008 - 03:48:45 PST)
Re: AMBER: Distorted ring...
Carlos Simmerling
(Thu Dec 11 2008 - 04:15:57 PST)
AMBER: tutorial A1, file missing readit.f
ABEL Stephane 175950
(Thu Dec 11 2008 - 04:22:41 PST)
Re: AMBER: tutorial A1, file missing readit.f
David A. Case
(Thu Dec 11 2008 - 05:19:38 PST)
AMBER: Pulling using restraintmask
Dirar Homouz
(Thu Dec 11 2008 - 12:30:00 PST)
Re: AMBER: Pulling using restraintmask
Alessandro Nascimento
(Thu Dec 11 2008 - 12:58:51 PST)
AMBER: reg.building ions
balaji nagarajan
(Fri Dec 12 2008 - 02:40:07 PST)
Re: AMBER: reg.building ions
David A. Case
(Fri Dec 12 2008 - 04:04:58 PST)
RE: AMBER: reg.building ions
balaji nagarajan
(Fri Dec 12 2008 - 04:14:57 PST)
Re: AMBER: reg.building ions
David A. Case
(Fri Dec 12 2008 - 04:42:28 PST)
AMBER: building new ions
CHAMI F.
(Fri Dec 12 2008 - 04:23:20 PST)
AMBER: building new ions
CHAMI F.
(Mon Dec 15 2008 - 05:50:50 PST)
Re: AMBER: building new ions
FyD
(Mon Dec 15 2008 - 06:09:04 PST)
AMBER: ff99 (PK/IDIVF)
saurabh agrawal
(Fri Dec 12 2008 - 05:26:58 PST)
Re: AMBER: ff99 (PK/IDIVF)
Carlos Simmerling
(Fri Dec 12 2008 - 06:05:11 PST)
RE: AMBER: ff99 (PK/IDIVF)
Ross Walker
(Fri Dec 12 2008 - 09:06:22 PST)
RE: AMBER: ff99 (PK/IDIVF)
saurabh agrawal
(Sun Dec 14 2008 - 10:29:39 PST)
Re: AMBER: ff99 (PK/IDIVF)
Carlos Simmerling
(Sun Dec 14 2008 - 10:38:23 PST)
Re: AMBER: ff99 (PK/IDIVF)
saurabh agrawal
(Tue Dec 16 2008 - 03:47:09 PST)
Re: AMBER: ff99 (PK/IDIVF)
Carlos Simmerling
(Tue Dec 16 2008 - 04:01:32 PST)
AMBER: ld: cannot find -lgcc_s
moitrayee.mbu.iisc.ernet.in
(Fri Dec 12 2008 - 05:52:08 PST)
Re: AMBER: ld: cannot find -lgcc_s
David A. Case
(Fri Dec 12 2008 - 06:26:00 PST)
AMBER: reg.concentration of ions
balaji nagarajan
(Fri Dec 12 2008 - 08:34:49 PST)
AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems
ABEL Stephane 175950
(Fri Dec 12 2008 - 08:41:19 PST)
Re: AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems
Jifeng Wang
(Fri Dec 12 2008 - 08:50:56 PST)
Re: AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems
FyD
(Fri Dec 12 2008 - 09:14:05 PST)
AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems
ABEL Stephane 175950
(Fri Dec 12 2008 - 09:33:44 PST)
Re: 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)
AMBER: sgi4700 the time of MD simulation is 30 minute for 1ps about 2500 atom using 1cpu
llduan.itcc.nju.edu.cn
(Sat Dec 13 2008 - 06:36:45 PST)
Re: 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)
AMBER: problem with toturial A3 (MM-PBSA)
Maryam Hamzehee
(Sat Dec 13 2008 - 07:22:58 PST)
Re: AMBER: problem with toturial A3 (MM-PBSA)
Carlos Simmerling
(Sat Dec 13 2008 - 07:35:13 PST)
Re: AMBER: problem with toturial A3 (MM-PBSA)
Maryam Hamzehee
(Sun Dec 14 2008 - 03:25:00 PST)
Re: AMBER: problem with toturial A3 (MM-PBSA)
Carlos Simmerling
(Tue Dec 16 2008 - 05:57:42 PST)
AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Sat Dec 13 2008 - 13:18:45 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Sat Dec 13 2008 - 14:12:30 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
David A. Case
(Sun Dec 14 2008 - 06:20:36 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Sun Dec 14 2008 - 12:11:53 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Mon Dec 15 2008 - 01:36:09 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Mon Dec 15 2008 - 02:06:51 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Mon Dec 15 2008 - 03:12:53 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
David A. Case
(Mon Dec 15 2008 - 04:54:33 PST)
Re: AMBER: Compiling AMBER 10 on SGI MIPS and Sun SPARC
Atro Tossavainen
(Mon Dec 15 2008 - 06:27:05 PST)
AMBER: Calculating the dielectrostatic constant from simulation?
Jeffrey
(Sun Dec 14 2008 - 23:07:25 PST)
Re: AMBER: Calculating the dielectrostatic constant from simulation?
Adrian Roitberg
(Mon Dec 15 2008 - 05:44:09 PST)
Re: Re: AMBER: Calculating the dielectrostatic constant from simulation?
Jeffrey
(Mon Dec 15 2008 - 17:34:54 PST)
AMBER: pressure component
chengtao.sjtu.edu.cn
(Mon Dec 15 2008 - 00:17:21 PST)
Re: AMBER: pressure component
David A. Case
(Mon Dec 15 2008 - 04:43:44 PST)
Re: AMBER: pressure component
chengtao.sjtu.edu.cn
(Tue Dec 16 2008 - 00:42:00 PST)
AMBER: AMBER 10 PMEMD / SGI_MIPS
Atro Tossavainen
(Mon Dec 15 2008 - 04:51:16 PST)
Re: AMBER: AMBER 10 PMEMD / SGI_MIPS
Robert Duke
(Mon Dec 15 2008 - 05:45:34 PST)
Re: AMBER: AMBER 10 PMEMD / SGI_MIPS
Atro Tossavainen
(Mon Dec 15 2008 - 06:40:41 PST)
Re: AMBER: AMBER 10 PMEMD / SGI_MIPS
Robert Duke
(Mon Dec 15 2008 - 07:26:12 PST)
Re: AMBER: AMBER 10 PMEMD / SGI_MIPS
Atro Tossavainen
(Tue Dec 16 2008 - 04:17:48 PST)
RE: AMBER: AMBER 10 PMEMD / SGI_MIPS
Ross Walker
(Tue Dec 16 2008 - 08:16:11 PST)
AMBER: Initial velocities based on date and time are NOT changing ?
Markus Kaukonen
(Mon Dec 15 2008 - 05:14:38 PST)
Re: AMBER: Initial velocities based on date and time are NOT changing ?
David A. Case
(Mon Dec 15 2008 - 05:38:03 PST)
Re: AMBER: Initial velocities based on date and time are NOT changing ?
Markus Kaukonen
(Tue Dec 16 2008 - 01:41:40 PST)
AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
unknown charset
(Mon Dec 15 2008 - 06:41:55 PST)
RE: AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
Ross Walker
(Mon Dec 15 2008 - 07:18:04 PST)
RE: AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
unknown charset
(Tue Dec 16 2008 - 04:57:05 PST)
Re: AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
Robert Duke
(Tue Dec 16 2008 - 05:55:47 PST)
AMBER: comparison of MD trajectories recorded with pmemd and sander
unknown charset
(Wed Dec 17 2008 - 06:04:26 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Carlos Simmerling
(Wed Dec 17 2008 - 07:12:32 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Robert Duke
(Wed Dec 17 2008 - 08:42:07 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Adrian Roitberg
(Wed Dec 17 2008 - 08:40:23 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Thomas Cheatham III
(Wed Dec 17 2008 - 09:16:47 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Robert Duke
(Wed Dec 17 2008 - 09:02:25 PST)
RE: AMBER: comparison of MD trajectories recorded with pmemd and sander
Ross Walker
(Wed Dec 17 2008 - 09:01:37 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Robert Duke
(Wed Dec 17 2008 - 09:18:46 PST)
Fw: AMBER: comparison of MD trajectories recorded with pmemd and sander
Robert Duke
(Wed Dec 17 2008 - 09:20:40 PST)
Re: AMBER: comparison of MD trajectories recorded with pmemd and sander
Gustavo Seabra
(Thu Dec 18 2008 - 06:58:13 PST)
Fw: AMBER: launching a job works with sander.MPI and fail with pmemd.MPI
Robert Duke
(Tue Dec 16 2008 - 06:56:13 PST)
AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
wl2290.columbia.edu
(Fri Dec 19 2008 - 10:16:39 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
David A. Case
(Sat Dec 20 2008 - 15:48:23 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
wl2290.columbia.edu
(Mon Dec 22 2008 - 15:26:10 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
David A. Case
(Tue Dec 23 2008 - 05:26:15 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
wl2290.columbia.edu
(Tue Dec 23 2008 - 07:52:39 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
wl2290.columbia.edu
(Tue Dec 30 2008 - 09:54:58 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
David A. Case
(Tue Dec 30 2008 - 13:31:56 PST)
Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)
wl2290.columbia.edu
(Tue Dec 30 2008 - 14:15:59 PST)
AMBER: relative weight of RDC constraints
David Witte
(Mon Dec 15 2008 - 08:21:34 PST)
Re: AMBER: relative weight of RDC constraints
David A. Case
(Mon Dec 15 2008 - 08:44:19 PST)
AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Tue Dec 16 2008 - 10:46:22 PST)
Re: AMBER: distance restraint in minimization
David A. Case
(Tue Dec 16 2008 - 11:57:44 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Tue Dec 16 2008 - 13:16:43 PST)
AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Tue Dec 16 2008 - 14:44:35 PST)
Re: AMBER: distance restraint in minimization
luzhenw1.msu.edu
(Wed Dec 17 2008 - 07:10:49 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Wed Dec 17 2008 - 09:44:55 PST)
Re: AMBER: distance restraint in minimization
luzhenw1.msu.edu
(Wed Dec 17 2008 - 10:17:28 PST)
Re: AMBER: distance restraint in minimization
David A. Case
(Wed Dec 17 2008 - 10:49:56 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Wed Dec 17 2008 - 11:34:22 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Wed Dec 17 2008 - 12:16:18 PST)
AMBER: distance restraint between non-bonded molecules
Taufik Al-Sarraj
(Wed Dec 17 2008 - 16:13:36 PST)
Re: AMBER: distance restraint between non-bonded molecules
Carlos Simmerling
(Thu Dec 18 2008 - 03:45:13 PST)
Re: AMBER: distance restraint between non-bonded molecules
Taufik Al-Sarraj
(Thu Dec 18 2008 - 08:49:51 PST)
Re: AMBER: distance restraint between non-bonded molecules
Ilyas Yildirim
(Thu Dec 18 2008 - 11:29:30 PST)
Re: AMBER: distance restraint between non-bonded molecules
Taufik Al-Sarraj
(Thu Dec 18 2008 - 12:41:05 PST)
Re: AMBER: distance restraint between non-bonded molecules
Ilyas Yildirim
(Thu Dec 18 2008 - 13:29:26 PST)
Re: AMBER: distance restraint between non-bonded molecules
Taufik Al-Sarraj
(Fri Dec 19 2008 - 07:14:51 PST)
Re: AMBER: distance restraint between non-bonded molecules
Ilyas Yildirim
(Fri Dec 19 2008 - 07:22:32 PST)
Re: AMBER: distance restraint between non-bonded molecules
Carlos Simmerling
(Fri Dec 19 2008 - 07:24:09 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Wed Dec 17 2008 - 10:52:01 PST)
Re: AMBER: distance restraint in minimization
Jifeng Wang
(Wed Dec 17 2008 - 10:16:08 PST)
Re: AMBER: distance restraint in minimization
Taufik Al-Sarraj
(Wed Dec 17 2008 - 10:15:24 PST)
AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III
ABEL Stephane 175950
(Tue Dec 16 2008 - 03:28:56 PST)
Re: AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III
FyD
(Tue Dec 16 2008 - 04:17:15 PST)
AMBER: alascan MUTANT_KEEP error
Larry Layne
(Tue Dec 16 2008 - 11:07:51 PST)
AMBER: restraintmask - reference file is not working
Dirar Homouz
(Tue Dec 16 2008 - 16:05:24 PST)
Re: AMBER: restraintmask - reference file is not working
Carlos Simmerling
(Tue Dec 16 2008 - 16:38:14 PST)
RE: AMBER: restraintmask - reference file is not working
Dirar Homouz
(Tue Dec 16 2008 - 16:45:44 PST)
RE: AMBER: restraintmask - reference file is not working
Dirar Homouz
(Tue Dec 16 2008 - 16:51:08 PST)
Re: AMBER: restraintmask - reference file is not working
Carlos Simmerling
(Tue Dec 16 2008 - 17:05:03 PST)
RE: AMBER: restraintmask - reference file is not working
Dirar Homouz
(Wed Dec 17 2008 - 01:41:00 PST)
Re: AMBER: restraintmask - reference file is not working
Carlos Simmerling
(Wed Dec 17 2008 - 05:19:25 PST)
RE: AMBER: restraintmask - reference file is not working
Dirar Homouz
(Wed Dec 17 2008 - 11:40:48 PST)
Re: AMBER: restraintmask - reference file is not working
Carlos Simmerling
(Wed Dec 17 2008 - 11:51:35 PST)
Re: AMBER: restraintmask - reference file is not working
Carlos Simmerling
(Thu Dec 18 2008 - 04:14:27 PST)
RE: AMBER: restraintmask - reference file is not working
Dirar Homouz
(Thu Dec 18 2008 - 15:46:23 PST)
AMBER: unsubscribe amber
Prem Prakash Pathak
(Tue Dec 16 2008 - 19:09:54 PST)
AMBER: AMBER minimization problems
Lili Peng
(Tue Dec 16 2008 - 23:14:00 PST)
RE: AMBER: AMBER minimization problems
Ross Walker
(Wed Dec 17 2008 - 08:18:06 PST)
Re: AMBER: AMBER minimization problems
Lili Peng
(Wed Dec 17 2008 - 08:35:58 PST)
RE: AMBER: AMBER minimization problems
Ross Walker
(Thu Dec 18 2008 - 09:46:45 PST)
Re: AMBER: AMBER minimization problems
Lili Peng
(Sat Dec 20 2008 - 15:53:54 PST)
Re: AMBER: AMBER minimization problems
Robert Duke
(Sat Dec 20 2008 - 16:10:03 PST)
AMBER: from dihe parameters to torsional energy
Jeffrey
(Wed Dec 17 2008 - 01:15:17 PST)
RE: AMBER: from dihe parameters to torsional energy
Ross Walker
(Wed Dec 17 2008 - 08:36:14 PST)
RE: AMBER: from dihe parameters to torsional energy
Ilyas Yildirim
(Wed Dec 17 2008 - 09:10:13 PST)
RE: AMBER: from dihe parameters to torsional energy
Ross Walker
(Wed Dec 17 2008 - 09:28:21 PST)
Re: RE: AMBER: from dihe parameters to torsional energy
Jeffrey
(Wed Dec 17 2008 - 18:18:29 PST)
AMBER: alascan error
Larry Layne
(Wed Dec 17 2008 - 12:19:22 PST)
AMBER: Hydroxide ion in POL3 water
D.J. Cole
(Thu Dec 18 2008 - 04:13:58 PST)
AMBER: Solvatebox problem
musa özboyacı
(Fri Dec 19 2008 - 02:24:56 PST)
Re: AMBER: Solvatebox problem
David A. Case
(Fri Dec 19 2008 - 05:19:18 PST)
Re: AMBER: distance restraint between non-bonded molecules]
Ilyas Yildirim
(Fri Dec 19 2008 - 15:06:35 PST)
Re: AMBER: distance restraint between non-bonded molecules]
Taufik Al-Sarraj
(Sat Dec 20 2008 - 10:44:43 PST)
AMBER: xleap (measureGeom)
Taufik Al-Sarraj
(Sat Dec 20 2008 - 13:02:56 PST)
Re: AMBER: xleap (measureGeom)
Scott Brozell
(Mon Dec 22 2008 - 14:10:46 PST)
Re: AMBER: distance restraint between non-bonded molecules]
Ilyas Yildirim
(Sun Dec 21 2008 - 19:08:38 PST)
AMBER: Re:
Taufik Al-Sarraj
(Mon Dec 22 2008 - 10:08:17 PST)
AMBER: idecomp=2 & RRES/LRES group specification
In Hee Park
(Fri Dec 19 2008 - 17:19:43 PST)
AMBER: amber 9 compilation error with mvapich and intel compilers
Amit Bajaj
(Sat Dec 20 2008 - 06:17:03 PST)
Re: AMBER: amber 9 compilation error with mvapich and intel compilers
David A. Case
(Sat Dec 20 2008 - 14:42:28 PST)
Re: AMBER: amber 9 compilation error with mvapich and intel compilers
Amit Bajaj
(Sun Dec 21 2008 - 21:41:35 PST)
Re: AMBER: amber 9 compilation error with mvapich and intel compilers
David A. Case
(Mon Dec 22 2008 - 05:35:28 PST)
Re: AMBER: amber 9 compilation error with mvapich and intelcompilers
Robert Duke
(Mon Dec 22 2008 - 06:36:33 PST)
Re: AMBER: amber 9 compilation error with mvapich and intel compilers
amit
(Mon Dec 22 2008 - 09:12:41 PST)
RE: AMBER: amber 9 compilation error with mvapich and intel compilers
Ross Walker
(Mon Dec 22 2008 - 09:46:58 PST)
AMBER: Materials and methods
Taufik Al-Sarraj
(Mon Dec 22 2008 - 10:05:22 PST)
RE: AMBER: amber 9 compilation error with mvapich and intel compilers
amit
(Mon Dec 22 2008 - 10:15:34 PST)
AMBER: Error: tutorial one for md simulation of DNA
Catein Catherine
(Sun Dec 21 2008 - 19:33:41 PST)
RE: AMBER: Error: tutorial one for md simulation of DNA
balaji nagarajan
(Sun Dec 21 2008 - 20:06:55 PST)
RE: AMBER: Error: tutorial one for md simulation of DNA
Catein Catherine
(Sun Dec 21 2008 - 21:12:32 PST)
AMBER:
balaji nagarajan
(Mon Dec 22 2008 - 05:36:38 PST)
RE: AMBER:
Ross Walker
(Mon Dec 22 2008 - 08:41:23 PST)
AMBER: Playstation 3 Benchmarks
Andrew Ring
(Mon Dec 22 2008 - 16:40:44 PST)
Re: AMBER: Playstation 3 Benchmarks
David Watson
(Mon Dec 22 2008 - 17:17:57 PST)
RE: AMBER: Playstation 3 Benchmarks
Ross Walker
(Mon Dec 22 2008 - 17:20:38 PST)
AMBER: installation amber9 in fedora9
Vijay Manickam Achari
(Mon Dec 22 2008 - 20:44:12 PST)
Re: AMBER: installation amber9 in fedora9
Scott Brozell
(Mon Dec 22 2008 - 21:41:22 PST)
Re: AMBER: installation amber9 in fedora9
sobereva
(Tue Dec 23 2008 - 01:52:00 PST)
AMBER: AMBER10 AMBERTools antechamber
Starr Hazard
(Tue Dec 23 2008 - 08:36:05 PST)
Re: AMBER: AMBER10 AMBERTools antechamber
M. L. Dodson
(Tue Dec 23 2008 - 08:45:46 PST)
RE: AMBER: AMBER10 AMBERTools antechamber
Ross Walker
(Tue Dec 23 2008 - 09:09:54 PST)
Re: AMBER: AMBER10 AMBERTools antechamber
David A. Case
(Tue Dec 23 2008 - 11:45:06 PST)
Re: AMBER: AMBER10 AMBERTools antechamber
M. L. Dodson
(Tue Dec 23 2008 - 12:00:13 PST)
AMBER: Switching function in NAMD
musa özboyacı
(Tue Dec 23 2008 - 11:52:37 PST)
Re: AMBER: Switching function in NAMD
Adrian Roitberg
(Tue Dec 23 2008 - 11:56:58 PST)
AMBER: about mmpbsa out data
ecustipp
(Tue Dec 23 2008 - 18:21:22 PST)
Re: AMBER: about mmpbsa out data
steinbrt.rci.rutgers.edu
(Tue Dec 23 2008 - 20:53:02 PST)
Re:Re: AMBER: about mmpbsa out data
ecustipp
(Wed Dec 24 2008 - 01:11:50 PST)
AMBER: installation amber9 in fedora9 using bash shell
Vijay Manickam Achari
(Tue Dec 23 2008 - 20:05:28 PST)
Re: AMBER: installation amber9 in fedora9 using bash shell
David A. Case
(Wed Dec 24 2008 - 11:07:35 PST)
AMBER: How to build a cubic box of a newly synthesized compound?
Jeffrey
(Tue Dec 23 2008 - 22:34:13 PST)
Re: AMBER: How to build a cubic box of a newly synthesized compound?
M. L. Dodson
(Wed Dec 24 2008 - 09:45:23 PST)
AMBER: xleap error
Vijay Manickam Achari
(Wed Dec 24 2008 - 01:58:17 PST)
Re: AMBER: xleap error
David A. Case
(Wed Dec 24 2008 - 11:02:11 PST)
AMBER:
Beale, John
(Wed Dec 24 2008 - 05:19:48 PST)
AMBER: mpirun Permission denied.
drugdesign
(Wed Dec 24 2008 - 22:49:31 PST)
Re: AMBER: mpirun Permission denied.
Jackie. J. Shen
(Tue Dec 30 2008 - 18:32:17 PST)
Re: AMBER: mpirun Permission denied.
David Watson
(Tue Dec 30 2008 - 21:04:40 PST)
AMBER: a question about ff03ua
oguz gurbulak
(Thu Dec 25 2008 - 06:06:33 PST)
Re: AMBER: a question about ff03ua
David A. Case
(Thu Dec 25 2008 - 13:01:56 PST)
AMBER: definition of dihedral in amber
Jeffrey
(Thu Dec 25 2008 - 07:38:38 PST)
AMBER: vertex atom mismatch
ecustipp
(Fri Dec 26 2008 - 02:09:45 PST)
AMBER: (no subject)
Rajendra P. OJHA
(Fri Dec 26 2008 - 04:35:12 PST)
Re: AMBER: (no subject)
ecustipp.163.com
(Sun Dec 28 2008 - 23:58:20 PST)
AMBER: SMD-related questions
Alessandro Nascimento
(Mon Dec 29 2008 - 05:07:05 PST)
Re: AMBER: SMD-related questions
M. L. Dodson
(Mon Dec 29 2008 - 10:25:19 PST)
Re: AMBER: SMD-related questions
Jackie. J. Shen
(Tue Dec 30 2008 - 18:27:16 PST)
AMBER: mwcovar limit?
Carra, Claudio (JSC-SK)[USRA]
(Mon Dec 29 2008 - 14:31:27 PST)
RE: AMBER: mwcovar limit?
Ross Walker
(Wed Dec 31 2008 - 20:44:33 PST)
AMBER: FAD RESP charges and parameters
Cenk \(Jenk\) Andac
(Mon Dec 29 2008 - 14:51:49 PST)
Re: AMBER: FAD RESP charges and parameters
FyD
(Tue Dec 30 2008 - 00:45:01 PST)
Re: AMBER: FAD RESP charges and parameters
Cenk \(Jenk\) Andac
(Tue Dec 30 2008 - 04:28:41 PST)
Re: AMBER: FAD RESP charges and parameters
FyD
(Tue Dec 30 2008 - 06:19:15 PST)
Re: AMBER: FAD RESP charges and parameters
Cenk \(Jenk\) Andac
(Tue Dec 30 2008 - 08:03:17 PST)
AMBER: mdout file details
aneesh cna
(Mon Dec 29 2008 - 22:20:40 PST)
Re: AMBER: mdout file details
David A. Case
(Wed Dec 31 2008 - 08:50:05 PST)
AMBER: periodic boundary
Sally Pias
(Wed Dec 31 2008 - 00:37:25 PST)
AMBER: RMS plot
Beale, John
(Wed Dec 31 2008 - 11:11:39 PST)
Last message date
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Fri Jan 02 2009 - 01:12:40 PST
Archived on
: Wed Apr 24 2024 - 05:53:44 PDT
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