Amber Archive Apr 2012 by author
834 messages
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Starting
Sat Mar 31 2012 - 21:30:03 PDT,
Ending
Mon Apr 30 2012 - 21:00:02 PDT
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Acoot Brett
[AMBER] calculation mean B factor of a PDB file
(Sat Apr 28 2012 - 02:42:28 PDT)
[AMBER] implicit MD and explicit MD
(Sat Apr 21 2012 - 08:26:32 PDT)
Re: [AMBER] using AMBER forcefield by GROMACS
(Sat Apr 21 2012 - 04:36:48 PDT)
[AMBER] using AMBER forcefield by GROMACS
(Sat Apr 21 2012 - 04:24:07 PDT)
[AMBER] constant pH titration
(Fri Apr 20 2012 - 23:38:58 PDT)
[AMBER] addions command in the xleap
(Fri Apr 20 2012 - 21:57:28 PDT)
[AMBER] Fw: running the on-line tutorial B1 (DNA) by Amber 12
(Fri Apr 20 2012 - 05:16:25 PDT)
[AMBER] running the on-line tutorial B1 (DNA) by Amber 12
(Fri Apr 20 2012 - 04:21:52 PDT)
[AMBER] on The Nudged Elastic Band Approach (Tutorial 5)
(Wed Apr 18 2012 - 02:42:17 PDT)
[AMBER] my ambertools 12 test
(Sat Apr 14 2012 - 08:42:55 PDT)
[AMBER] Ambertools 12 installation: Help needed
(Sat Apr 14 2012 - 02:43:19 PDT)
[AMBER] which methods calculate the binding energy most accurate
(Wed Apr 11 2012 - 18:21:14 PDT)
Re: [AMBER] AMBER 99SB force field used by GROMACS
(Tue Apr 10 2012 - 22:03:22 PDT)
[AMBER] AMBER 99SB force field used by GROMACS
(Tue Apr 10 2012 - 06:25:12 PDT)
[AMBER] installation of Amber 12 under Cygwin
(Tue Apr 10 2012 - 04:40:11 PDT)
[AMBER] sander minimization mini.in file for protein complex
(Sun Apr 08 2012 - 19:40:23 PDT)
[AMBER] sander minimization *.i file for protein complex
(Sun Apr 08 2012 - 19:10:33 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 15:29:00 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 06:10:02 PDT)
[AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 05:13:45 PDT)
[AMBER] an error message in installation of AMBERTOOLS12
(Sat Apr 07 2012 - 17:52:30 PDT)
[AMBER] PDB file conversion server to meet the atom type requirement
(Sat Apr 07 2012 - 02:15:45 PDT)
Re: [AMBER] question on protonation state of histidine
(Fri Apr 06 2012 - 19:33:52 PDT)
[AMBER] question on protonation state of histidine
(Fri Apr 06 2012 - 15:48:27 PDT)
[AMBER] Further question on protonation state of histidine
(Fri Apr 06 2012 - 04:25:04 PDT)
[AMBER] cygwin xleap cannot open display
(Thu Apr 05 2012 - 06:35:36 PDT)
[AMBER] on the protonation of the HIS, etc
(Thu Apr 05 2012 - 04:08:46 PDT)
[AMBER] on "-v" in mdrun
(Mon Apr 02 2012 - 23:14:36 PDT)
[AMBER] how where to read the amber and amber test failure diff files
(Mon Apr 02 2012 - 22:58:09 PDT)
[AMBER] on my AMBER AND AMBERTOOLS installation test failures
(Mon Apr 02 2012 - 20:56:57 PDT)
Re: [AMBER] a question related to force field
(Sun Apr 01 2012 - 15:09:46 PDT)
[AMBER] a question related to force field
(Sun Apr 01 2012 - 14:59:39 PDT)
[AMBER] Can anyone point out whether my ambertools and amber test failures are significant
(Sun Apr 01 2012 - 04:17:39 PDT)
Adam Jion
[AMBER] H-Bonding and Amber's Shake algorithm
(Mon Apr 23 2012 - 03:33:38 PDT)
Re: [AMBER] Particles moving outside of simulation box for pmemd.cuda.mpi
(Wed Apr 04 2012 - 00:13:01 PDT)
[AMBER] Exporting and Boxing Amber Trajectories by Frame
(Mon Apr 02 2012 - 04:38:48 PDT)
Aditya Setiajid
[AMBER] Fw: MMPBSA error in segmentation fault
(Sun Apr 15 2012 - 06:56:39 PDT)
Re: [AMBER] MMPBSA error in segmentation fault
(Fri Apr 13 2012 - 23:03:28 PDT)
[AMBER] MMPBSA error in segmentation fault
(Fri Apr 13 2012 - 01:05:16 PDT)
Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Mon Apr 02 2012 - 19:32:03 PDT)
Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Mon Apr 02 2012 - 06:39:35 PDT)
[AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Sun Apr 01 2012 - 23:33:08 PDT)
Adrian Roitberg
Re: [AMBER] AMBER 99SB force field used by GROMACS
(Tue Apr 10 2012 - 06:26:18 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 15:43:26 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 07:37:06 PDT)
Agostino Bruno
[AMBER] RAMD simulations
(Mon Apr 30 2012 - 06:54:18 PDT)
Alan
Re: [AMBER] Old version
(Fri Apr 20 2012 - 00:54:41 PDT)
Albert
Re: [AMBER] is there a second methods to use CHARMM FF in amber?
(Mon Apr 30 2012 - 12:29:10 PDT)
[AMBER] is there a second methods to use CHARMM FF in amber?
(Sun Apr 29 2012 - 22:42:35 PDT)
Re: [AMBER] multiple GPU compile failed for Amber12
(Sat Apr 28 2012 - 21:24:02 PDT)
[AMBER] multiple GPU compile failed for Amber12
(Sat Apr 28 2012 - 11:13:44 PDT)
Re: [AMBER] amber 12 with intel compiler failed
(Fri Apr 27 2012 - 13:23:30 PDT)
Re: [AMBER] amber 12 with intel compiler failed
(Fri Apr 27 2012 - 13:13:04 PDT)
[AMBER] amber 12 with intel compiler failed
(Fri Apr 27 2012 - 12:34:49 PDT)
[AMBER] IBM compiler for Amber12?
(Fri Apr 27 2012 - 10:02:13 PDT)
Re: [AMBER] is lipid 11 FF compatible with GAFF?
(Thu Apr 26 2012 - 11:30:01 PDT)
[AMBER] is lipid 11 FF compatible with GAFF?
(Thu Apr 26 2012 - 09:21:34 PDT)
[AMBER] is it possible to convert gromacs MD system into Amber?
(Wed Apr 25 2012 - 06:13:50 PDT)
[AMBER] is membrane protein simulation tutorial ready?
(Sat Apr 21 2012 - 12:14:22 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 13:01:58 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:48:29 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:39:04 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:29:20 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:29:01 PDT)
[AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:16:04 PDT)
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 03:52:39 PDT)
[AMBER] how to improve GPU running?
(Tue Apr 17 2012 - 23:24:54 PDT)
Re: [AMBER] problem converting AmbertoDesmond
(Mon Apr 16 2012 - 23:03:43 PDT)
Re: [AMBER] problem converting AmbertoDesmond
(Mon Apr 16 2012 - 14:15:15 PDT)
[AMBER] problem converting AmbertoDesmond
(Mon Apr 16 2012 - 11:54:11 PDT)
[AMBER] when will the membrane protein simulation tutorial be available?
(Mon Apr 16 2012 - 06:05:39 PDT)
[AMBER] what's the amber efficiency?
(Sat Apr 14 2012 - 04:45:57 PDT)
Re: [AMBER] strange output information
(Sat Apr 14 2012 - 04:40:36 PDT)
[AMBER] strange output information
(Fri Apr 13 2012 - 23:18:13 PDT)
[AMBER] restrain syntax
(Fri Apr 13 2012 - 21:42:41 PDT)
[AMBER] NVT error
(Fri Apr 13 2012 - 11:45:04 PDT)
[AMBER] is it possible strip off restrain linearly?
(Fri Apr 13 2012 - 11:28:20 PDT)
[AMBER] how to restrain the ligand in minimization and NVT equilibration step?
(Fri Apr 13 2012 - 10:17:39 PDT)
[AMBER] how to use Amber99SB-ILDN in Amber11?
(Thu Apr 12 2012 - 11:28:57 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:22:47 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:06:16 PDT)
[AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 05:52:25 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:39:27 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:28:54 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:21:02 PDT)
[AMBER] error with chamber
(Tue Apr 03 2012 - 13:15:22 PDT)
Alfredo Quevedo
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 08:18:21 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 07:37:00 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 07:22:32 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 05:44:20 PDT)
[AMBER] "closest" command in cpptraj
(Mon Apr 16 2012 - 12:57:11 PDT)
Re: [AMBER] Error compiling pmemd.cuda.MPI
(Fri Apr 13 2012 - 12:21:11 PDT)
[AMBER] Error compiling pmemd.cuda.MPI
(Fri Apr 13 2012 - 08:51:17 PDT)
[AMBER] MMPBSA.py.MPI calls sander instead of sander.MPI
(Thu Apr 12 2012 - 06:12:01 PDT)
Re: [AMBER] AMBER Digest, Vol 121, Issue 2
(Wed Apr 11 2012 - 12:33:10 PDT)
[AMBER] Fwd: no info contained in Residues to print section - MMPBSA.py
(Wed Apr 11 2012 - 07:03:01 PDT)
Andreas Goetz
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Thu Apr 19 2012 - 12:50:42 PDT)
Andrew Ritchie
[AMBER] Trouble installing AmberTools 1.5 on mac
(Tue Apr 24 2012 - 11:05:33 PDT)
Andrey
Re: [AMBER] Problem with mdnab: ERROR in RATTLE
(Mon Apr 23 2012 - 01:25:56 PDT)
Re: [AMBER] Problem with mdnab: ERROR in RATTLE
(Tue Apr 17 2012 - 07:20:42 PDT)
[AMBER] Problem with mdnab: ERROR in RATTLE
(Fri Apr 13 2012 - 12:57:19 PDT)
Angelo Gallo CERM
[AMBER] 2FE-2S cluster proteins topology and parameters files
(Tue Apr 10 2012 - 09:49:46 PDT)
Anselm Horn
[AMBER] SOM clustering
(Wed Apr 11 2012 - 00:51:24 PDT)
Re: [AMBER] sander minimization mini.in file for protein complex
(Mon Apr 09 2012 - 05:42:27 PDT)
anyiphysics.gmail.com
Re: [AMBER] water cap simulation
(Mon Apr 30 2012 - 12:48:49 PDT)
Aron Broom
Re: [AMBER] addions command in the xleap
(Sat Apr 21 2012 - 05:14:53 PDT)
Re: [AMBER] on The Nudged Elastic Band Approach (Tutorial 5)
(Fri Apr 20 2012 - 07:21:32 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:47:44 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:36:06 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:21:16 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 19:49:10 PDT)
Re: [AMBER] About restraint
(Tue Apr 17 2012 - 19:47:06 PDT)
Re: [AMBER] Why RMSD goes fast to 5 angstrom?
(Tue Apr 17 2012 - 19:40:58 PDT)
Re: [AMBER] which methods calculate the binding energy most accurate
(Wed Apr 11 2012 - 21:49:09 PDT)
Re: [AMBER] Could not read velocities from restart file
(Wed Apr 11 2012 - 06:24:31 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 13:33:47 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 11:18:54 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:47:40 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:22:33 PDT)
Re: [AMBER] GB/SA
(Mon Apr 09 2012 - 16:16:28 PDT)
Re: [AMBER] GB/SA
(Mon Apr 09 2012 - 10:27:04 PDT)
[AMBER] GB/SA
(Mon Apr 09 2012 - 09:15:55 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 07:28:02 PDT)
Re: [AMBER] binding energy calculations
(Fri Apr 06 2012 - 22:55:47 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 08:02:22 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 07:49:43 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 10:57:26 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 09:43:21 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 06:47:23 PDT)
Arthur Roberts
[AMBER] Units of the output file.
(Tue Apr 10 2012 - 05:54:54 PDT)
ashley chen
Re: [AMBER] Amber using Gaussian input
(Mon Apr 23 2012 - 23:51:45 PDT)
Ashutosh Shandilya
[AMBER] Angle restrained minimization
(Wed Apr 25 2012 - 06:39:52 PDT)
ashwini gupta
Re: [AMBER] Problems with atom type in sidechain.bcl
(Sat Apr 28 2012 - 22:15:20 PDT)
[AMBER] QM/MM simulation
(Wed Apr 25 2012 - 05:19:36 PDT)
[AMBER] crystallographic artifacts
(Mon Apr 09 2012 - 23:33:54 PDT)
[AMBER] generating non-standard residue
(Sun Apr 01 2012 - 22:22:32 PDT)
Asmita Gupta
Re: [AMBER] error in parallel amber 11 installation
(Thu Apr 26 2012 - 05:24:36 PDT)
Re: [AMBER] error in parallel amber 11 installation
(Wed Apr 25 2012 - 01:31:00 PDT)
[AMBER] error in parallel amber 11 installation
(Tue Apr 24 2012 - 02:43:06 PDT)
[AMBER] Confusion in adding TER cards
(Fri Apr 20 2012 - 04:05:24 PDT)
Bahareh honarparvar
Re: [AMBER] How can I exert external force in the end of DNA?
(Thu Apr 19 2012 - 08:30:51 PDT)
Bala Subramani
[AMBER] pcacovar in ptraj
(Fri Apr 13 2012 - 04:15:08 PDT)
Bala subramanian
[AMBER] creating a box of fixed size
(Thu Apr 26 2012 - 02:44:55 PDT)
Ben Roberts
Re: [AMBER] MPI with options "-ip" and "-axSTPW"
(Mon Apr 30 2012 - 03:10:50 PDT)
Re: [AMBER] calculation parallel
(Sat Apr 28 2012 - 22:58:30 PDT)
Re: [AMBER] the problem of charge
(Sat Apr 28 2012 - 22:52:23 PDT)
Re: [AMBER] Protein nanoparticle interaction
(Tue Apr 24 2012 - 19:42:58 PDT)
Re: [AMBER] Problem with MCPB
(Sun Apr 15 2012 - 03:46:53 PDT)
Re: [AMBER] Problem with MCPB
(Sun Apr 15 2012 - 03:10:16 PDT)
Re: [AMBER] AMBERHOME is not recognized by ./configure
(Wed Apr 04 2012 - 15:24:02 PDT)
Re: [AMBER] a question related to force field
(Sun Apr 01 2012 - 15:08:32 PDT)
Re: [AMBER] test failure in the AMBERTOOL installation
(Sun Apr 01 2012 - 14:01:17 PDT)
Benjamin D Madej
Re: [AMBER] is lipid 11 FF compatible with GAFF?
(Thu Apr 26 2012 - 11:10:08 PDT)
Re: [AMBER] when will the membrane protein simulation tutorial be available?
(Mon Apr 16 2012 - 20:05:02 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 08:58:34 PDT)
Bill Miller III
Re: [AMBER] Need help with MMPBSA.MPI
(Mon Apr 16 2012 - 13:49:38 PDT)
Re: [AMBER] Need help with MMPBSA.MPI
(Mon Apr 16 2012 - 09:21:59 PDT)
Re: [AMBER] MMPBSA error in segmentation fault
(Sat Apr 14 2012 - 05:07:38 PDT)
Re: [AMBER] MMPBSA error in segmentation fault
(Fri Apr 13 2012 - 05:48:10 PDT)
Bill Ross
Re: [AMBER] problem converting AmbertoDesmond
(Tue Apr 17 2012 - 16:54:03 PDT)
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 22:21:46 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 15:42:48 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 15:09:48 PDT)
bmartini
[AMBER] the real binding free energy
(Wed Apr 25 2012 - 19:34:21 PDT)
Re: [AMBER] Amber11: running ptraj
(Wed Apr 18 2012 - 11:45:42 PDT)
[AMBER] Amber11: running ptraj
(Wed Apr 18 2012 - 11:26:38 PDT)
[AMBER] about sander and pmemd
(Wed Apr 11 2012 - 10:03:15 PDT)
Brian Radak
Re: [AMBER] QM/MM simulation
(Wed Apr 25 2012 - 06:11:33 PDT)
Re: [AMBER] QM/MM ATP-Mg2+ system
(Mon Apr 23 2012 - 09:03:39 PDT)
Re: [AMBER] imin = 5, expected numerical error when re-calculating energy
(Fri Apr 20 2012 - 09:03:41 PDT)
[AMBER] imin = 5, expected numerical error when re-calculating energy
(Fri Apr 20 2012 - 07:46:13 PDT)
Re: [AMBER] About force constant in umbrella sampling
(Thu Apr 19 2012 - 11:11:38 PDT)
Re: [AMBER] why no periodic information?
(Wed Apr 18 2012 - 12:35:01 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Mon Apr 16 2012 - 10:34:57 PDT)
Re: [AMBER] Ligand and receptor separated when setting iwrap=1
(Sun Apr 08 2012 - 11:48:55 PDT)
Re: [AMBER] Further question on protonation state of histidine
(Fri Apr 06 2012 - 06:02:38 PDT)
Camille Sultana
Re: [AMBER] 1-4 EEL meaning
(Wed Apr 25 2012 - 15:02:30 PDT)
[AMBER] 1-4 EEL meaning
(Wed Apr 25 2012 - 11:21:08 PDT)
Carlos Simmerling
Re: [AMBER] Creating a concatenated coordinate file for LES
(Mon Apr 30 2012 - 09:24:33 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 09:55:21 PDT)
Re: [AMBER] computational scanning
(Wed Apr 25 2012 - 08:11:13 PDT)
Re: [AMBER] RMSD analysis for cyclo-tetra-peptide
(Mon Apr 23 2012 - 04:44:56 PDT)
Re: [AMBER] implicit MD and explicit MD
(Sat Apr 21 2012 - 12:14:34 PDT)
Re: [AMBER] on The Nudged Elastic Band Approach (Tutorial 5)
(Fri Apr 20 2012 - 05:01:17 PDT)
Re: [AMBER] strange output information
(Sat Apr 14 2012 - 04:25:17 PDT)
Re: [AMBER] how to restrain the ligand in minimization and NVT equilibration step?
(Fri Apr 13 2012 - 10:21:34 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Thu Apr 12 2012 - 05:22:05 PDT)
Re: [AMBER] GB/SA
(Mon Apr 09 2012 - 12:47:58 PDT)
Re: [AMBER] GB and Dielectric constant
(Mon Apr 09 2012 - 05:04:42 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Sat Apr 07 2012 - 04:06:27 PDT)
Re: [AMBER] using both the ILDN and NMR-based modifications of ff99SB
(Thu Apr 05 2012 - 08:07:21 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Thu Apr 05 2012 - 07:49:43 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 07:47:21 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 04:55:49 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 03:00:36 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Wed Apr 04 2012 - 02:37:37 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Tue Apr 03 2012 - 08:21:07 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Tue Apr 03 2012 - 04:25:32 PDT)
Re: [AMBER] a question related to force field
(Sun Apr 01 2012 - 15:02:02 PDT)
case
Re: [AMBER] Radii in prmtop
(Sun Apr 29 2012 - 14:48:48 PDT)
Re: [AMBER] testing amber12 fails
(Sun Apr 29 2012 - 05:19:58 PDT)
Re: [AMBER] Radii in prmtop
(Sat Apr 28 2012 - 19:25:42 PDT)
Re: [AMBER] water cap simulation
(Sat Apr 28 2012 - 07:00:20 PDT)
Re: [AMBER] Problem with molegro file
(Sat Apr 28 2012 - 06:56:19 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 18:46:26 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Wed Apr 25 2012 - 19:30:22 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 19:21:28 PDT)
Re: [AMBER] Lmode_in_Amber11
(Wed Apr 25 2012 - 14:25:47 PDT)
Re: [AMBER] AMBER 11 sander segmentation fault
(Mon Apr 23 2012 - 18:24:18 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 18:11:15 PDT)
Re: [AMBER] Old version
(Thu Apr 19 2012 - 17:52:32 PDT)
Re: [AMBER] Problem with mdnab: ERROR in RATTLE
(Tue Apr 17 2012 - 16:35:47 PDT)
Re: [AMBER] FW: reduce and trim function
(Sun Apr 15 2012 - 19:25:57 PDT)
Re: [AMBER] abertools12 installation failure
(Sun Apr 15 2012 - 13:37:17 PDT)
Re: [AMBER] Problem with mdnab: ERROR in RATTLE
(Sat Apr 14 2012 - 11:04:34 PDT)
Re: [AMBER] Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 10:55:38 PDT)
Re: [AMBER] Electrostatic potential calculation
(Sat Apr 14 2012 - 06:38:17 PDT)
Re: [AMBER] what's the amber efficiency?
(Sat Apr 14 2012 - 06:37:05 PDT)
Re: [AMBER] Ambertools 12 installation: Help needed
(Sat Apr 14 2012 - 06:32:21 PDT)
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 20:26:50 PDT)
Re: [AMBER] saveamberparm in xleap does not recognize atom type F
(Fri Apr 13 2012 - 20:22:43 PDT)
Re: [AMBER] NVT error
(Fri Apr 13 2012 - 20:16:45 PDT)
Re: [AMBER] Electrostatic potential calculation
(Fri Apr 13 2012 - 20:09:17 PDT)
Re: [AMBER] installing Amber12 in parallel
(Fri Apr 13 2012 - 20:01:08 PDT)
Re: [AMBER] How can I fix two ends of DNA?
(Sun Apr 08 2012 - 11:25:02 PDT)
Re: [AMBER] PDB file conversion server to meet the atom type requirement
(Sat Apr 07 2012 - 13:58:56 PDT)
Re: [AMBER] question on protonation state of histidine
(Sat Apr 07 2012 - 13:42:18 PDT)
Re: [AMBER] binding energy calculations
(Fri Apr 06 2012 - 18:04:59 PDT)
Re: [AMBER] Setting the cut-off and size of box
(Tue Apr 03 2012 - 19:53:48 PDT)
Re: [AMBER] Setting the cut-off and size of box
(Mon Apr 02 2012 - 18:19:27 PDT)
Re: [AMBER] AmberTools-1.5 installation problems
(Mon Apr 02 2012 - 15:06:15 PDT)
Catein Catherine
[AMBER] How to overcome the limitation of file size when using ptraj?
(Tue Apr 10 2012 - 00:29:16 PDT)
[AMBER] How to set VMD_PLUGIN_PATH ? (in order to analysis mdcrd by GROMACS directly)
(Sat Mar 31 2012 - 21:11:32 PDT)
Chris Chris
[AMBER] Problem with molegro file
(Fri Apr 27 2012 - 09:52:31 PDT)
colvin
Re: [AMBER] add_pdb
(Thu Apr 26 2012 - 01:39:46 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 17:39:58 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 17:02:06 PDT)
[AMBER] add_pdb
(Wed Apr 25 2012 - 02:12:21 PDT)
Cramariuc Oana
Re: [AMBER] problem in tleap with head and tail atom assignment
(Thu Apr 19 2012 - 04:44:14 PDT)
[AMBER] problem in tleap with head and tail atom assignment
(Wed Apr 18 2012 - 13:10:34 PDT)
Crowley, Michael
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:47:27 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:35:36 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:25:55 PDT)
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 13:18:00 PDT)
Daniel Roe
Re: [AMBER] Radii in prmtop
(Mon Apr 30 2012 - 07:52:38 PDT)
Re: [AMBER] calculation mean B factor of a PDB file
(Sat Apr 28 2012 - 06:36:23 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Thu Apr 19 2012 - 17:41:49 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 08:05:00 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 07:35:40 PDT)
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 06:14:43 PDT)
Re: [AMBER] "closest" command in cpptraj
(Mon Apr 16 2012 - 14:25:54 PDT)
Re: [AMBER] closest command
(Fri Apr 13 2012 - 06:45:15 PDT)
Re: [AMBER] closest command
(Fri Apr 13 2012 - 04:33:32 PDT)
Re: [AMBER] closest command
(Thu Apr 12 2012 - 16:02:01 PDT)
David A Case
Re: [AMBER] Angle restraints
(Fri Apr 27 2012 - 07:10:47 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Thu Apr 26 2012 - 12:25:23 PDT)
Re: [AMBER] the real binding free energy
(Thu Apr 26 2012 - 05:26:16 PDT)
Re: [AMBER] Lmode_in_Amber11
(Thu Apr 26 2012 - 05:19:03 PDT)
Re: [AMBER] Angle restrained minimization
(Wed Apr 25 2012 - 09:41:29 PDT)
Re: [AMBER] [amber] error building proper torsion parameters.
(Wed Apr 25 2012 - 05:30:37 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 05:26:51 PDT)
Re: [AMBER] error in parallel amber 11 installation
(Wed Apr 25 2012 - 05:22:04 PDT)
Re: [AMBER] AMBER12 installation error
(Wed Apr 25 2012 - 05:16:15 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Wed Apr 25 2012 - 05:12:20 PDT)
Re: [AMBER] error in parallel amber 11 installation
(Tue Apr 24 2012 - 05:41:26 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Tue Apr 24 2012 - 05:31:38 PDT)
Re: [AMBER] error in AMBER while generatting prmtop and ipcrd
(Mon Apr 23 2012 - 09:51:57 PDT)
Re: [AMBER] [amber] error building proper torsion parameters.
(Mon Apr 23 2012 - 09:47:45 PDT)
Re: [AMBER] H-Bonding and Amber's Shake algorithm
(Mon Apr 23 2012 - 05:24:35 PDT)
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Mon Apr 23 2012 - 05:22:21 PDT)
Re: [AMBER] Confusion in adding TER cards
(Fri Apr 20 2012 - 13:13:28 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Fri Apr 20 2012 - 13:05:02 PDT)
Re: [AMBER] error Building proper torsion parameters.
(Fri Apr 20 2012 - 12:56:49 PDT)
Re: [AMBER] running the on-line tutorial B1 (DNA) by Amber 12
(Fri Apr 20 2012 - 05:36:06 PDT)
Re: [AMBER] xleap pdb file loading problem.
(Thu Apr 19 2012 - 11:47:55 PDT)
Re: [AMBER] NUCGEN and FORCE Field disfunction
(Thu Apr 19 2012 - 04:55:10 PDT)
Re: [AMBER] SCEE and SCNB GLYCAM_06 values with amber11 top crd files
(Wed Apr 18 2012 - 12:10:00 PDT)
Re: [AMBER] Dielectric constant and scaled charges
(Wed Apr 18 2012 - 05:09:24 PDT)
Re: [AMBER] Creating input file for Protein-protein simulation
(Wed Apr 18 2012 - 04:56:42 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Wed Apr 18 2012 - 04:52:39 PDT)
Re: [AMBER] Problem with mdnab: ERROR in RATTLE
(Wed Apr 18 2012 - 04:46:12 PDT)
Re: [AMBER] Partitioning issue of sander
(Tue Apr 17 2012 - 06:20:05 PDT)
Re: [AMBER] saveamberparm in xleap does not recognize atom type F
(Tue Apr 17 2012 - 05:04:15 PDT)
Re: [AMBER] problem converting AmbertoDesmond
(Tue Apr 17 2012 - 04:43:18 PDT)
Re: [AMBER] problem converting AmbertoDesmond
(Mon Apr 16 2012 - 12:30:49 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Mon Apr 16 2012 - 10:08:54 PDT)
Re: [AMBER] forcefield modifications
(Mon Apr 16 2012 - 09:59:23 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Mon Apr 16 2012 - 06:19:59 PDT)
Re: [AMBER] Partitioning issue of sander
(Mon Apr 16 2012 - 06:10:08 PDT)
Re: [AMBER] how to use Amber99SB-ILDN in Amber11?
(Thu Apr 12 2012 - 12:26:35 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 08:25:11 PDT)
Re: [AMBER] Query regarding Amber Installation
(Thu Apr 12 2012 - 07:52:31 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 07:48:39 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 05:45:33 PDT)
Re: [AMBER] about sander and pmemd
(Wed Apr 11 2012 - 11:26:14 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 07:16:18 PDT)
Re: [AMBER] how does frcmod work specifially. rdparm
(Wed Apr 11 2012 - 07:12:57 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 05:06:04 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 13:20:24 PDT)
Re: [AMBER] Units of the output file.
(Tue Apr 10 2012 - 10:22:35 PDT)
Re: [AMBER] PBC
(Tue Apr 10 2012 - 04:58:51 PDT)
Re: [AMBER] installation of Amber 12 under Cygwin
(Tue Apr 10 2012 - 04:55:48 PDT)
Re: [AMBER] How to overcome the limitation of file size when using ptraj?
(Tue Apr 10 2012 - 04:55:22 PDT)
Re: [AMBER] binding energy calculations
(Mon Apr 09 2012 - 13:38:44 PDT)
Re: [AMBER] GB and Dielectric constant
(Mon Apr 09 2012 - 05:41:24 PDT)
Re: [AMBER] sander minimization mini.in file for protein complex
(Mon Apr 09 2012 - 05:37:21 PDT)
Re: [AMBER] What is major difference between Amber11 and Amber12
(Fri Apr 06 2012 - 09:14:38 PDT)
Re: [AMBER] Further question on protonation state of histidine
(Fri Apr 06 2012 - 06:28:59 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 07:33:37 PDT)
Re: [AMBER] cygwin xleap cannot open display
(Thu Apr 05 2012 - 07:32:13 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 06:55:32 PDT)
Re: [AMBER] using both the ILDN and NMR-based modifications of ff99SB
(Thu Apr 05 2012 - 06:53:18 PDT)
Re: [AMBER] distance dependent dielectric constant
(Thu Apr 05 2012 - 05:24:22 PDT)
[AMBER] Announcement: release of Amber12 and AmberTools12
(Wed Apr 04 2012 - 07:09:32 PDT)
Re: [AMBER] Particles moving outside of simulation box for pmemd.cuda.mpi
(Wed Apr 04 2012 - 06:11:50 PDT)
Re: [AMBER] distance dependent dielectric constant
(Wed Apr 04 2012 - 06:10:15 PDT)
Re: [AMBER] AmberTools-1.5 installation problems
(Mon Apr 02 2012 - 05:19:13 PDT)
Re: [AMBER] Asking About Differences between amber force field ff10 and ff03
(Mon Apr 02 2012 - 05:14:32 PDT)
Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Mon Apr 02 2012 - 05:08:56 PDT)
David Case
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 12:47:35 PDT)
David Condon
Re: [AMBER] Could not read velocities from restart file
(Wed Apr 11 2012 - 18:04:40 PDT)
Re: [AMBER] Could not read velocities from restart file
(Wed Apr 11 2012 - 11:45:15 PDT)
Re: [AMBER] Could not read velocities from restart file
(Wed Apr 11 2012 - 06:06:35 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 11:59:02 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 11:16:40 PDT)
[AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 06:13:57 PDT)
David Jones
Re: [AMBER] using two GPUs
(Fri Apr 20 2012 - 19:23:30 PDT)
Dean Cuebas
Re: [AMBER] Ambertools12 cygwin install keeps asking for csh?????
(Wed Apr 11 2012 - 11:59:59 PDT)
[AMBER] Ambertools12 cygwin install keeps asking for csh?????
(Wed Apr 11 2012 - 11:28:08 PDT)
Re: [AMBER] question on protonation state of histidine
(Fri Apr 06 2012 - 19:16:07 PDT)
denilson.dqi.ufla.br
Re: [AMBER] ptraj removes my ligands
(Mon Apr 02 2012 - 06:55:33 PDT)
DoYong Kim
Re: [AMBER] xleap pdb file loading problem.
(Fri Apr 20 2012 - 12:49:59 PDT)
[AMBER] xleap pdb file loading problem.
(Thu Apr 19 2012 - 08:53:10 PDT)
Dureid El-Moghraby
[AMBER] "Possible Failures" in Amber 11 and Amber tools tests
(Tue Apr 03 2012 - 03:27:49 PDT)
Elisa Frezza
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 08:54:32 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 08:38:29 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 08:05:16 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 07:58:14 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 07:33:30 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 07:30:42 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 05:34:50 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 01:03:45 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 05 2012 - 02:06:44 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 13:28:24 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 12:19:55 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 11:18:20 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 09:53:03 PDT)
Fabrício Bracht
[AMBER] Problems with atom type in sidechain.bcl
(Sat Apr 28 2012 - 08:03:21 PDT)
[AMBER] Problems with atom type in sidechain.bcl
(Mon Apr 23 2012 - 08:21:42 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Fri Apr 20 2012 - 11:23:56 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Fri Apr 20 2012 - 07:25:52 PDT)
[AMBER] cpptraj, ptraj and time interval
(Thu Apr 19 2012 - 10:15:07 PDT)
Fernando Martín García
[AMBER] QM/MM and water box type
(Fri Apr 20 2012 - 01:07:26 PDT)
Re: [AMBER] PBC
(Tue Apr 10 2012 - 05:07:05 PDT)
[AMBER] PBC
(Tue Apr 10 2012 - 03:40:51 PDT)
filip fratev
Re: [AMBER] QM/MM ATP-Mg2+ system
(Tue Apr 24 2012 - 13:48:07 PDT)
[AMBER] QM/MM ATP-Mg2+ system
(Sun Apr 22 2012 - 15:55:07 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Fri Apr 20 2012 - 20:35:25 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Thu Apr 19 2012 - 22:30:55 PDT)
Re: [AMBER] Creating input file for Protein-protein simulation
(Tue Apr 17 2012 - 10:14:36 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Mon Apr 16 2012 - 09:26:03 PDT)
francesco oteri
Re: [AMBER] creating a box of fixed size
(Thu Apr 26 2012 - 06:34:25 PDT)
Re: [AMBER] using AMBER forcefield by GROMACS
(Sat Apr 21 2012 - 04:31:03 PDT)
Re: [AMBER] Use of PCASuite in analyzing DNA-MD trajectories
(Mon Apr 02 2012 - 23:50:41 PDT)
Francesco Pietra
Re: [AMBER] parallelization of paramfit in ambertools12
(Mon Apr 16 2012 - 22:28:02 PDT)
[AMBER] parallelization of paramfit in ambertools12
(Mon Apr 16 2012 - 00:47:16 PDT)
Re: [AMBER] abertools12 installation failure
(Mon Apr 16 2012 - 00:37:25 PDT)
Re: [AMBER] abertools12 installation failure
(Sun Apr 15 2012 - 10:07:45 PDT)
[AMBER] Fwd: abertools12 installation failure
(Sun Apr 15 2012 - 01:10:21 PDT)
[AMBER] abertools12 installation failure
(Sun Apr 15 2012 - 00:53:03 PDT)
Fredrick Devadoss
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Tue Apr 17 2012 - 02:51:56 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 05:34:52 PDT)
Re: [AMBER] the command to make the sander running visible
(Sun Apr 08 2012 - 07:27:27 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 05:39:04 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 03:09:18 PDT)
Re: [AMBER] Large Energy Jump in TMD simulation - Regarding
(Wed Apr 04 2012 - 02:53:39 PDT)
FyD
Re: [AMBER] the problem of charge
(Sun Apr 29 2012 - 03:52:45 PDT)
Re: [AMBER] the problem of charge
(Sun Apr 29 2012 - 00:40:51 PDT)
Re: [AMBER] preparation of silver metal parameter file
(Sun Apr 29 2012 - 00:21:13 PDT)
Re: [AMBER] Problem with molegro file
(Sun Apr 29 2012 - 00:16:39 PDT)
Re: [AMBER] "Spiderweb"
(Thu Apr 26 2012 - 08:57:31 PDT)
Re: [AMBER] parameters for Lys-sugar leap errors
(Thu Apr 26 2012 - 08:36:39 PDT)
Re: [AMBER] parameters for Lys-sugar
(Mon Apr 23 2012 - 09:26:41 PDT)
Re: [AMBER] P2N file error from RED
(Fri Apr 20 2012 - 02:10:02 PDT)
Re: [AMBER] problem in tleap with head and tail atom assignment
(Thu Apr 19 2012 - 03:14:32 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Thu Apr 19 2012 - 03:02:18 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Wed Apr 18 2012 - 09:47:55 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Wed Apr 18 2012 - 00:43:09 PDT)
Re: [AMBER] P2N file error from RED
(Tue Apr 17 2012 - 06:37:27 PDT)
[AMBER] Fwd: [q4md-fft] Re: parameters for Lys-sugar P2N file
(Thu Apr 12 2012 - 07:44:15 PDT)
Re: [AMBER] parameters for Lys-sugar P2N file
(Thu Apr 12 2012 - 05:13:55 PDT)
Re: [AMBER] metal site
(Tue Apr 03 2012 - 03:01:20 PDT)
Re: [AMBER] generating non-standard residue
(Sun Apr 01 2012 - 22:29:05 PDT)
Re: [AMBER] a question related to force field
(Sun Apr 01 2012 - 22:24:37 PDT)
Genzo Tanaka
Re: [AMBER] input format for qms
(Mon Apr 30 2012 - 20:48:39 PDT)
[AMBER] input format for qms
(Mon Apr 30 2012 - 09:16:36 PDT)
Re: [AMBER] saveamberparm in xleap does not recognize atom type F
(Mon Apr 16 2012 - 09:13:13 PDT)
[AMBER] saveamberparm in xleap does not recognize atom type F
(Fri Apr 13 2012 - 16:01:36 PDT)
Re: [AMBER] AMBERHOME is not recognized by ./configure
(Thu Apr 05 2012 - 14:04:21 PDT)
[AMBER] AMBERHOME is not recognized by ./configure
(Wed Apr 04 2012 - 15:15:12 PDT)
Re: [AMBER] AmberTools-1.5 installation problems
(Mon Apr 02 2012 - 14:30:08 PDT)
[AMBER] AmberTools-1.5 installation problems
(Mon Apr 02 2012 - 04:16:51 PDT)
George Tzotzos
Re: [AMBER] For atom: .R<Na+ 127>.A<Na+ 1> Could not find type: Na+
(Tue Apr 24 2012 - 12:39:07 PDT)
[AMBER] For atom: .R<Na+ 127>.A<Na+ 1> Could not find type: Na+
(Tue Apr 24 2012 - 10:59:01 PDT)
Re: [AMBER] Entropy: nmode and quasi-harmonic approximation
(Tue Apr 24 2012 - 04:50:46 PDT)
[AMBER] Entropy: nmode and quasi-harmonic approximation
(Tue Apr 24 2012 - 02:24:15 PDT)
Giovanni Pavan
[AMBER] R: Error: unspecified launch failure launching kernel kReduceForces
(Wed Apr 11 2012 - 08:39:22 PDT)
[AMBER] R: Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 08:13:42 PDT)
[AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 03:34:00 PDT)
Gonzalo Jimenez
Re: [AMBER] Calculating B-factor in ptraj
(Tue Apr 10 2012 - 11:16:04 PDT)
Gould, Ian R
Re: [AMBER] computational scanning
(Wed Apr 25 2012 - 08:15:45 PDT)
Hannes Loeffler
Re: [AMBER] Entropy: nmode and quasi-harmonic approximation
(Tue Apr 24 2012 - 02:58:16 PDT)
Hector A. Baldoni
[AMBER] computational scanning
(Wed Apr 25 2012 - 08:06:57 PDT)
Hoshin Kim
[AMBER] MM-PBSA Question
(Mon Apr 02 2012 - 02:08:47 PDT)
InSuk Joung
Re: [AMBER] For atom: .R<Na+ 127>.A<Na+ 1> Could not find type: Na+
(Tue Apr 24 2012 - 12:03:18 PDT)
Irene Newhouse
[AMBER] Where can I find silhouette.pl?
(Sun Apr 22 2012 - 01:54:05 PDT)
István Lőrincz
Re: [AMBER] (GPU) preformance of amber 12
(Mon Apr 23 2012 - 03:37:34 PDT)
[AMBER] (GPU) preformance of amber 12
(Fri Apr 20 2012 - 08:33:37 PDT)
Jacopo Sgrignani
Re: [AMBER] RAMD simulations
(Mon Apr 30 2012 - 07:28:21 PDT)
Re: [AMBER] GTP parameter set for RNA
(Thu Apr 26 2012 - 12:28:47 PDT)
[AMBER] AM1 scalability
(Tue Apr 24 2012 - 08:12:00 PDT)
JAIME RUBIO MARTINEZ
Re: [AMBER] Lmode_in_Amber11
(Thu Apr 26 2012 - 01:09:15 PDT)
Re: [AMBER] Lmode_in_Amber11
(Thu Apr 26 2012 - 01:07:26 PDT)
[AMBER] Lmode_in_Amber11
(Wed Apr 25 2012 - 11:08:18 PDT)
Jan-Philip Gehrcke
Re: [AMBER] parameters for Lys-sugar
(Wed Apr 25 2012 - 04:48:51 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Fri Apr 20 2012 - 08:15:04 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Wed Apr 18 2012 - 01:18:32 PDT)
Re: [AMBER] MMPBSA error
(Tue Apr 17 2012 - 05:40:58 PDT)
Re: [AMBER] MMPBSA error
(Tue Apr 17 2012 - 05:28:02 PDT)
Jason Swails
Re: [AMBER] error in decomposition analysis using ambertools 1.5
(Mon Apr 30 2012 - 17:12:49 PDT)
Re: [AMBER] error in decomposition analysis using ambertools 1.5
(Mon Apr 30 2012 - 15:11:46 PDT)
Re: [AMBER] mbondi3
(Sat Apr 28 2012 - 13:32:21 PDT)
Re: [AMBER] multiple GPU compile failed for Amber12
(Sat Apr 28 2012 - 13:24:42 PDT)
Re: [AMBER] preparation of silver metal parameter file
(Sat Apr 28 2012 - 09:50:45 PDT)
Re: [AMBER] amber 12 with intel compiler failed
(Fri Apr 27 2012 - 13:27:17 PDT)
Re: [AMBER] amber 12 with intel compiler failed
(Fri Apr 27 2012 - 12:41:17 PDT)
Re: [AMBER] GTP parameter set for RNA
(Fri Apr 27 2012 - 08:12:20 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 13:24:16 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 12:18:33 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Thu Apr 26 2012 - 07:29:10 PDT)
Re: [AMBER] problems installing pmedm.cuda
(Thu Apr 26 2012 - 06:52:02 PDT)
Re: [AMBER] problems installing pmedm.cuda
(Thu Apr 26 2012 - 05:58:12 PDT)
Re: [AMBER] add_pdb
(Thu Apr 26 2012 - 05:56:20 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 18:36:47 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Wed Apr 25 2012 - 17:37:50 PDT)
Re: [AMBER] add_pdb
(Wed Apr 25 2012 - 17:06:12 PDT)
Re: [AMBER] 1-4 EEL meaning
(Wed Apr 25 2012 - 15:23:54 PDT)
Re: [AMBER] using two GPUs
(Wed Apr 25 2012 - 11:44:31 PDT)
Re: [AMBER] is it possible to convert gromacs MD system into Amber?
(Wed Apr 25 2012 - 09:09:03 PDT)
Re: [AMBER] AMBER12 installation error
(Wed Apr 25 2012 - 09:08:09 PDT)
Re: [AMBER] using two GPUs
(Wed Apr 25 2012 - 09:05:13 PDT)
Re: [AMBER] Trouble installing AmberTools 1.5 on mac
(Tue Apr 24 2012 - 14:29:38 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Tue Apr 24 2012 - 08:33:30 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Tue Apr 24 2012 - 08:32:27 PDT)
Re: [AMBER] error in parallel amber 11 installation
(Tue Apr 24 2012 - 06:10:29 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 15:27:50 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 12:31:21 PDT)
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Mon Apr 23 2012 - 05:57:26 PDT)
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 16:21:13 PDT)
Re: [AMBER] How to determine the protonation state of phosphorylated residue in a protein?
(Sun Apr 22 2012 - 15:31:10 PDT)
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 07:28:46 PDT)
Re: [AMBER] is membrane protein simulation tutorial ready?
(Sat Apr 21 2012 - 13:32:50 PDT)
Re: [AMBER] xleap pdb file loading problem.
(Sat Apr 21 2012 - 07:29:56 PDT)
Re: [AMBER] cpptraj, ptraj and time interval
(Sat Apr 21 2012 - 07:25:06 PDT)
Re: [AMBER] using AMBER forcefield by GROMACS
(Sat Apr 21 2012 - 07:21:01 PDT)
Re: [AMBER] using two GPUs
(Sat Apr 21 2012 - 07:18:02 PDT)
Re: [AMBER] constant pH titration
(Sat Apr 21 2012 - 07:08:17 PDT)
Re: [AMBER] The error of installing mpi4py in ambertools12 for MMPBSA parallel
(Fri Apr 20 2012 - 08:47:57 PDT)
Re: [AMBER] imin = 5, expected numerical error when re-calculating energy
(Fri Apr 20 2012 - 08:41:45 PDT)
Re: [AMBER] Amber 12 - Check for updates failed
(Thu Apr 19 2012 - 12:24:55 PDT)
Re: [AMBER] NUCGEN and FORCE Field disfunction
(Thu Apr 19 2012 - 04:55:48 PDT)
Re: [AMBER] problem in tleap with head and tail atom assignment
(Wed Apr 18 2012 - 14:27:53 PDT)
Re: [AMBER] abertools12 installation failure
(Wed Apr 18 2012 - 09:54:14 PDT)
Re: [AMBER] Why RMSD goes fast to 5 angstrom?
(Wed Apr 18 2012 - 05:16:10 PDT)
Re: [AMBER] Why RMSD goes fast to 5 angstrom?
(Tue Apr 17 2012 - 20:23:25 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 11:38:19 PDT)
Re: [AMBER] Partitioning issue of sander
(Tue Apr 17 2012 - 08:53:03 PDT)
Re: [AMBER] MMPBSA error
(Tue Apr 17 2012 - 07:07:27 PDT)
Re: [AMBER] AmberTools12 Installation Error
(Mon Apr 16 2012 - 14:45:14 PDT)
Re: [AMBER] Good cluster configuration for running PMEMD.MPI?
(Mon Apr 16 2012 - 14:37:10 PDT)
Re: [AMBER] problem with "make test.parallel" for AMBER12
(Mon Apr 16 2012 - 12:05:15 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Mon Apr 16 2012 - 11:53:46 PDT)
Re: [AMBER] Partitioning issue of sander
(Sun Apr 15 2012 - 20:56:54 PDT)
Re: [AMBER] abertools12 installation failure
(Sun Apr 15 2012 - 17:44:51 PDT)
Re: [AMBER] abertools12 installation failure
(Sun Apr 15 2012 - 08:22:21 PDT)
Re: [AMBER] Fw: MMPBSA error in segmentation fault
(Sun Apr 15 2012 - 07:49:26 PDT)
Re: [AMBER] Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 12:40:58 PDT)
Re: [AMBER] Query regarding Amber Installation
(Sat Apr 14 2012 - 09:05:12 PDT)
Re: [AMBER] restrain syntax
(Sat Apr 14 2012 - 08:56:50 PDT)
Re: [AMBER] [amber] error: could not parse gb output files! check for missing values (*********).
(Sat Apr 14 2012 - 08:54:44 PDT)
Re: [AMBER] Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 08:47:39 PDT)
Re: [AMBER] is it possible strip off restrain linearly?
(Fri Apr 13 2012 - 15:26:37 PDT)
Re: [AMBER] reduce and trim function
(Fri Apr 13 2012 - 15:25:01 PDT)
Re: [AMBER] MMPBSA.py.MPI calls sander instead of sander.MPI
(Thu Apr 12 2012 - 06:23:01 PDT)
Re: [AMBER] MMPBSA error
(Thu Apr 12 2012 - 05:56:23 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 05:53:35 PDT)
Re: [AMBER] nmode list index out of range
(Wed Apr 11 2012 - 12:00:23 PDT)
Re: [AMBER] Error: Could not parse GB output files! Check for missing values (*********).
(Wed Apr 11 2012 - 11:58:03 PDT)
Re: [AMBER] Fwd: no info contained in Residues to print section - MMPBSA.py
(Wed Apr 11 2012 - 11:31:47 PDT)
Re: [AMBER] Residue mismatch - Amber11
(Tue Apr 10 2012 - 20:14:03 PDT)
Re: [AMBER] binding energy calculations
(Tue Apr 10 2012 - 14:14:18 PDT)
Re: [AMBER] How can I fix two ends of DNA?
(Mon Apr 09 2012 - 21:40:52 PDT)
Re: [AMBER] binding energy calculations
(Mon Apr 09 2012 - 21:33:49 PDT)
Re: [AMBER] GB/SA
(Mon Apr 09 2012 - 21:25:56 PDT)
Re: [AMBER] GB/SA
(Mon Apr 09 2012 - 10:10:30 PDT)
Re: [AMBER] query regarding gaussian and antechamber
(Mon Apr 09 2012 - 09:50:02 PDT)
Re: [AMBER] How can I fix two ends of DNA?
(Sun Apr 08 2012 - 20:08:09 PDT)
Re: [AMBER] an error message in installation of AMBERTOOLS12
(Sun Apr 08 2012 - 04:45:24 PDT)
Re: [AMBER] binding energy calculations
(Sat Apr 07 2012 - 12:09:03 PDT)
Re: [AMBER] question on protonation state of histidine
(Fri Apr 06 2012 - 23:49:41 PDT)
Re: [AMBER] using both the ILDN and NMR-based modifications of ff99SB
(Thu Apr 05 2012 - 14:18:12 PDT)
Re: [AMBER] Fwd: error in making prmtop & inpcrd for ligand-protein complex
(Wed Apr 04 2012 - 21:17:01 PDT)
Re: [AMBER] AMBERHOME is not recognized by ./configure
(Wed Apr 04 2012 - 21:11:19 PDT)
Re: [AMBER] close PME in AMBER 10
(Wed Apr 04 2012 - 10:36:52 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Wed Apr 04 2012 - 07:33:40 PDT)
Re: [AMBER] Amber GPU test fails
(Mon Apr 02 2012 - 20:53:42 PDT)
Re: [AMBER] metal site
(Mon Apr 02 2012 - 20:51:34 PDT)
Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Mon Apr 02 2012 - 20:41:35 PDT)
Re: [AMBER] Exporting and Boxing Amber Trajectories by Frame
(Mon Apr 02 2012 - 05:30:16 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 14:04:32 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 11:36:58 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 11:11:43 PDT)
Re: [AMBER] Can anyone point out whether my ambertools and amber test failures are significant
(Sun Apr 01 2012 - 08:54:05 PDT)
Re: [AMBER] How to set VMD_PLUGIN_PATH ? (in order to analysis mdcrd by GROMACS directly)
(Sun Apr 01 2012 - 08:46:03 PDT)
javacfish
Re: [AMBER] error installing Amber12-gpu version
(Mon Apr 16 2012 - 02:15:10 PDT)
[AMBER] 回复： abertools12 installation failure
(Mon Apr 16 2012 - 00:28:08 PDT)
[AMBER] reply： Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 12:57:36 PDT)
[AMBER] 回复： Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 12:55:21 PDT)
[AMBER] Amber12 compile with "intel" err.
(Sat Apr 14 2012 - 07:48:05 PDT)
Jesper Sørensen
Re: [AMBER] mbondi3
(Mon Apr 30 2012 - 00:11:51 PDT)
Re: [AMBER] Radii in prmtop
(Sun Apr 29 2012 - 23:42:00 PDT)
Re: [AMBER] Radii in prmtop
(Sun Apr 29 2012 - 11:19:41 PDT)
Re: [AMBER] Radii in prmtop
(Sat Apr 28 2012 - 14:38:30 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 12:56:51 PDT)
Re: [AMBER] Radii in prmtop
(Thu Apr 26 2012 - 11:06:18 PDT)
[AMBER] Radii in prmtop
(Thu Apr 26 2012 - 09:51:48 PDT)
JiYuan Liu
[AMBER] The error of installing mpi4py in ambertools12 for MMPBSA parallel
(Fri Apr 20 2012 - 21:13:02 PDT)
Jorgen Simonsen
[AMBER] debug energy into individual atoms
(Sun Apr 01 2012 - 14:16:39 PDT)
Josep Maria Campanera Alsina
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Sat Apr 07 2012 - 02:51:02 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Thu Apr 05 2012 - 04:11:13 PDT)
Re: [AMBER] Inconsistent Internal energy from monomer to dimer
(Wed Apr 04 2012 - 00:40:56 PDT)
[AMBER] Inconsistent Internal energy from monomer to dimer
(Tue Apr 03 2012 - 04:15:55 PDT)
Joshua Adelman
Re: [AMBER] error with chamber
(Tue Apr 03 2012 - 15:08:31 PDT)
José Guilherme Vilhena Albuquerque d'Orey
[AMBER] MICA SURFACE
(Mon Apr 16 2012 - 03:04:25 PDT)
[AMBER] AMBER USER
(Mon Apr 16 2012 - 03:03:00 PDT)
Juan Carlos Muñoz García
[AMBER] Good cluster configuration for running PMEMD.MPI?
(Mon Apr 16 2012 - 06:19:56 PDT)
jun kit
[AMBER] "Spiderweb"
(Thu Apr 26 2012 - 06:52:19 PDT)
[AMBER] query regarding gaussian and antechamber
(Mon Apr 09 2012 - 08:57:32 PDT)
Jun Wang
Re: [AMBER] About Restraint
(Wed Apr 18 2012 - 07:48:14 PDT)
[AMBER] About restraint
(Tue Apr 17 2012 - 19:33:09 PDT)
K. Uebayashi
[AMBER] What is major difference between Amber11 and Amber12
(Fri Apr 06 2012 - 07:06:48 PDT)
kanika sharma
Re: [AMBER] GB and Dielectric constant
(Mon Apr 09 2012 - 05:51:55 PDT)
[AMBER] GB and Dielectric constant
(Mon Apr 09 2012 - 04:49:29 PDT)
[AMBER] distance dependent dielectric constant
(Wed Apr 04 2012 - 22:46:15 PDT)
[AMBER] distance dependent dielectric constant
(Wed Apr 04 2012 - 05:42:17 PDT)
Kepa K. Burusco
[AMBER] SCEE and SCNB GLYCAM_06 values with amber11 top crd files
(Wed Apr 18 2012 - 10:55:09 PDT)
Re: [AMBER] Error loading Glycam_06 parameters in xLEaP / tleap
(Mon Apr 16 2012 - 03:19:42 PDT)
[AMBER] Error loading Glycam_06 parameters in xLEaP / tleap
(Fri Apr 13 2012 - 10:25:59 PDT)
kirtana S
Re: [AMBER] binding energy calculations
(Tue Apr 10 2012 - 10:04:29 PDT)
Re: [AMBER] binding energy calculations
(Mon Apr 09 2012 - 18:33:25 PDT)
Re: [AMBER] binding energy calculations
(Mon Apr 09 2012 - 13:25:06 PDT)
Re: [AMBER] binding energy calculations
(Sat Apr 07 2012 - 11:57:41 PDT)
Re: [AMBER] binding energy calculations
(Fri Apr 06 2012 - 22:35:47 PDT)
[AMBER] binding energy calculations
(Fri Apr 06 2012 - 10:41:53 PDT)
Knips, Alexander
[AMBER] forcefield modifications
(Mon Apr 16 2012 - 09:23:25 PDT)
[AMBER] how does frcmod work specifially. rdparm
(Wed Apr 11 2012 - 05:05:42 PDT)
Komal Soni
[AMBER] Angle restraints
(Fri Apr 27 2012 - 06:14:15 PDT)
krati sharma
[AMBER] Fwd: Problem?
(Fri Apr 06 2012 - 02:58:43 PDT)
Kumar, Sonu
Re: [AMBER] MMPBSA error
(Tue Apr 17 2012 - 07:17:14 PDT)
Re: [AMBER] MMPBSA error
(Tue Apr 17 2012 - 03:51:40 PDT)
[AMBER] MMPBSA error
(Wed Apr 11 2012 - 14:24:47 PDT)
kureeckal ramesh
[AMBER] error in AMBER while generatting prmtop and ipcrd
(Mon Apr 23 2012 - 01:56:11 PDT)
kurisaki
Re: [AMBER] MPI with options "-ip" and "-axSTPW"
(Mon Apr 30 2012 - 03:18:22 PDT)
[AMBER] MPI with options "-ip" and "-axSTPW"
(Mon Apr 30 2012 - 02:33:37 PDT)
Lachele Foley (Lists)
[AMBER] GLYCAM 06h and 06EPb
(Thu Apr 26 2012 - 11:38:39 PDT)
Re: [AMBER] parameters for Lys-sugar leap errors
(Thu Apr 26 2012 - 07:19:29 PDT)
Re: [AMBER] parameters for Lys-sugar leap errors
(Thu Apr 26 2012 - 07:17:48 PDT)
Re: [AMBER] parameters for Lys-sugar
(Mon Apr 23 2012 - 13:05:31 PDT)
Re: [AMBER] SCEE and SCNB GLYCAM_06 values with amber11 top crd files
(Wed Apr 18 2012 - 12:23:03 PDT)
Re: [AMBER] Error loading Glycam_06 parameters in xLEaP / tleap
(Fri Apr 13 2012 - 10:37:51 PDT)
Lianhu Wei
[AMBER] Bug? Antechamber, Ambertools-1.4
(Thu Apr 19 2012 - 13:11:46 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Thu Apr 19 2012 - 08:33:46 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Wed Apr 18 2012 - 12:27:42 PDT)
Re: [AMBER] Using Antechamber to generate RESP prepi file
(Wed Apr 18 2012 - 06:34:30 PDT)
[AMBER] Using Antechamber to generate RESP prepi file
(Tue Apr 17 2012 - 14:12:29 PDT)
Liu Denis
Re: [AMBER] cpptraj, ptraj and time interval
(Thu Apr 19 2012 - 17:38:39 PDT)
[AMBER] Can MMPBSA calculate the binding energy in organic solvent?
(Fri Apr 13 2012 - 08:20:33 PDT)
Re: [AMBER] Ligand and receptor separated when setting iwrap=1
(Sun Apr 08 2012 - 23:55:32 PDT)
[AMBER] Ligand and receptor separated when setting iwrap=1
(Sun Apr 08 2012 - 07:39:10 PDT)
Lorenzo Gontrani
Re: [AMBER] creating a box of fixed size
(Thu Apr 26 2012 - 06:55:48 PDT)
[AMBER] Dielectric constant and scaled charges
(Wed Apr 18 2012 - 03:34:09 PDT)
Re: [AMBER] AMBER 99SB force field used by GROMACS
(Tue Apr 10 2012 - 07:39:51 PDT)
luca codutti
Re: [AMBER] GTP parameter set for RNA
(Fri Apr 27 2012 - 08:22:19 PDT)
Re: [AMBER] GTP parameter set for RNA
(Fri Apr 27 2012 - 07:28:22 PDT)
Re: [AMBER] GTP parameter set for RNA
(Fri Apr 27 2012 - 01:00:57 PDT)
[AMBER] GTP parameter set for RNA
(Thu Apr 26 2012 - 11:28:31 PDT)
M. L. Dodson
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Sat Apr 28 2012 - 06:10:06 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Thu Apr 26 2012 - 08:32:44 PDT)
Re: [AMBER] my ambertools 12 test
(Sat Apr 14 2012 - 08:50:10 PDT)
Re: [AMBER] PDB file conversion server to meet the atom type requirement
(Sat Apr 07 2012 - 05:21:25 PDT)
Re: [AMBER] a question related to force field
(Sun Apr 01 2012 - 15:09:26 PDT)
Mahendra B Thapa
[AMBER] getting metal ions coordinates of nmr structures of a protein
(Mon Apr 30 2012 - 16:11:36 PDT)
Re: [AMBER] FW: FW: reduce and trim function
(Mon Apr 30 2012 - 15:17:58 PDT)
Re: [AMBER] FW: reduce and trim function
(Sun Apr 15 2012 - 14:49:49 PDT)
[AMBER] reduce and trim function
(Fri Apr 13 2012 - 09:17:32 PDT)
manikanthan bhavaraju
Re: [AMBER] error in decomposition analysis using ambertools 1.5
(Mon Apr 30 2012 - 18:13:24 PDT)
Re: [AMBER] error in decomposition analysis using ambertools 1.5
(Mon Apr 30 2012 - 16:09:07 PDT)
[AMBER] error in decomposition analysis using ambertools 1.5
(Mon Apr 30 2012 - 14:25:30 PDT)
Re: [AMBER] nmode list index out of range
(Wed Apr 11 2012 - 12:28:44 PDT)
[AMBER] nmode list index out of range
(Wed Apr 11 2012 - 06:34:46 PDT)
Marc van der Kamp
Re: [AMBER] is there a second methods to use CHARMM FF in amber?
(Mon Apr 30 2012 - 01:20:55 PDT)
Re: [AMBER] ff12SB with Na+ ion
(Wed Apr 25 2012 - 04:10:38 PDT)
Re: [AMBER] AM1 scalability
(Tue Apr 24 2012 - 08:29:45 PDT)
Re: [AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Tue Apr 17 2012 - 02:23:43 PDT)
Re: [AMBER] problem with "make test.parallel" for AMBER12
(Tue Apr 17 2012 - 01:34:10 PDT)
[AMBER] AMBER12 QM/MM: is d-orbital code going to be parallelized?
(Mon Apr 16 2012 - 08:57:39 PDT)
[AMBER] problem with "make test.parallel" for AMBER12
(Mon Apr 16 2012 - 07:15:21 PDT)
Re: [AMBER] installing Amber12 in parallel
(Mon Apr 16 2012 - 01:56:33 PDT)
[AMBER] installing Amber12 in parallel
(Fri Apr 13 2012 - 07:39:42 PDT)
Re: [AMBER] on the protonation of the HIS, etc
(Thu Apr 05 2012 - 04:14:37 PDT)
Marek Maly
[AMBER] Huge discrepancy in el part of "solvation energy" using Thermodynamic Integration
(Mon Apr 23 2012 - 09:55:26 PDT)
Markus Kaukonen
Re: [AMBER] 2FE-2S cluster proteins topology and parameters files
(Tue Apr 10 2012 - 23:30:00 PDT)
Matthew Zwier
Re: [AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 12:16:41 PDT)
Re: [AMBER] Good cluster configuration for running PMEMD.MPI?
(Tue Apr 17 2012 - 06:00:08 PDT)
mcj452500
[AMBER] RMSD analysis for cyclo-tetra-peptide
(Mon Apr 23 2012 - 04:08:42 PDT)
mehdi bagherpoor
[AMBER] how can apply external force to DNA residues?
(Sun Apr 29 2012 - 01:51:16 PDT)
[AMBER] external force in the end of DNA strands
(Fri Apr 20 2012 - 16:15:44 PDT)
[AMBER] How can I exert external force in the end of DNA?
(Thu Apr 19 2012 - 07:13:01 PDT)
Re: [AMBER] How can I fix two ends of DNA?
(Mon Apr 09 2012 - 16:08:50 PDT)
[AMBER] How can I fix two ends of DNA?
(Sun Apr 08 2012 - 03:20:42 PDT)
Mike NG
Re: [AMBER] mbondi3
(Sat Apr 28 2012 - 11:07:07 PDT)
mish
[AMBER] MM/PBSA calculations
(Fri Apr 20 2012 - 05:06:28 PDT)
Re: [AMBER] Calculating B-factor in ptraj
(Tue Apr 10 2012 - 11:27:27 PDT)
[AMBER] Calculating B-factor in ptraj
(Tue Apr 10 2012 - 10:55:28 PDT)
Mo Chen
[AMBER] About force constant in umbrella sampling
(Thu Apr 19 2012 - 10:46:34 PDT)
Mohammad Ashraf Bhuiyan
Re: [AMBER] GPU test fails
(Tue Apr 03 2012 - 12:49:43 PDT)
[AMBER] RE GPU test fails
(Tue Apr 03 2012 - 10:39:57 PDT)
[AMBER] Amber GPU test fails
(Mon Apr 02 2012 - 17:44:07 PDT)
moitrayee.mbu.iisc.ernet.in
Re: [AMBER] Problem with MCPB
(Sun Apr 15 2012 - 09:11:48 PDT)
[AMBER] Problem with gaussian input file generation
(Sat Apr 14 2012 - 13:27:17 PDT)
[AMBER] Problem with MCPB
(Fri Apr 13 2012 - 15:33:37 PDT)
Muhammad Aditya Setiajid
[AMBER] Fwd: error in making prmtop & inpcrd for ligand-protein complex
(Wed Apr 04 2012 - 20:39:11 PDT)
Muhammad Khaled Tumbi
[AMBER] Use of PCASuite in analyzing DNA-MD trajectories
(Mon Apr 02 2012 - 11:53:17 PDT)
Navin Jain
[AMBER] preparation of silver metal parameter file
(Sat Apr 28 2012 - 06:05:40 PDT)
[AMBER] Protein nanoparticle interaction
(Tue Apr 24 2012 - 02:56:55 PDT)
Nicholus Bhattacharjee
[AMBER] Some problem with building Non-standard residue
(Thu Apr 19 2012 - 23:14:30 PDT)
Niel Henriksen
Re: [AMBER] mbondi3
(Mon Apr 30 2012 - 09:21:57 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 12 2012 - 08:42:51 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 08:08:21 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 07:46:36 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Wed Apr 11 2012 - 06:53:03 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Thu Apr 05 2012 - 07:49:49 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 14:12:59 PDT)
Re: [AMBER] rfree: Error decoding variable 1 3 from:
(Sun Apr 01 2012 - 14:03:35 PDT)
Pengzhi
Re: [AMBER] Setting the cut-off and size of box
(Mon Apr 02 2012 - 19:59:58 PDT)
[AMBER] Setting the cut-off and size of box
(Mon Apr 02 2012 - 16:29:00 PDT)
Per Jr. Greisen
Re: [AMBER] P2N file error from RED
(Fri Apr 20 2012 - 01:04:37 PDT)
[AMBER] metal site
(Mon Apr 02 2012 - 13:09:25 PDT)
Peter Fojan
Re: [AMBER] problems installing pmedm.cuda
(Thu Apr 26 2012 - 07:19:37 PDT)
[AMBER] problems installing pmedm.cuda
(Thu Apr 26 2012 - 00:39:35 PDT)
Re: [AMBER] AMBER12 installation error
(Wed Apr 25 2012 - 09:57:40 PDT)
Re: [AMBER] AMBER12 installation error
(Wed Apr 25 2012 - 05:45:32 PDT)
[AMBER] AMBER12 installation error
(Wed Apr 25 2012 - 01:29:13 PDT)
Prashant Kumar
[AMBER] Error while running mm_pbsa.pl
(Mon Apr 16 2012 - 08:30:14 PDT)
Qian Wang
[AMBER] close PME in AMBER 10
(Wed Apr 04 2012 - 10:17:08 PDT)
Qiantao Wang
Re: [AMBER] QM/MM and water box type
(Fri Apr 20 2012 - 10:59:33 PDT)
Qin Cai
Re: [AMBER] mbondi3
(Mon Apr 30 2012 - 12:30:12 PDT)
Qiong Zhang
Re: [AMBER] sander error during GB calculations
(Mon Apr 16 2012 - 19:15:40 PDT)
[AMBER] sander error during GB calculations
(Mon Apr 16 2012 - 19:09:28 PDT)
Re: [AMBER] closest command
(Fri Apr 13 2012 - 08:41:05 PDT)
Re: [AMBER] closest command
(Fri Apr 13 2012 - 05:51:24 PDT)
Re: [AMBER] closest command
(Thu Apr 12 2012 - 18:29:44 PDT)
[AMBER] closest command
(Thu Apr 12 2012 - 14:30:55 PDT)
raghav singh
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 19:48:55 PDT)
Rajendra Sharma
[AMBER] How to determine the protonation state of phosphorylated residue in a protein?
(Thu Apr 19 2012 - 17:08:00 PDT)
Re: [AMBER] Further question on protonation state of histidine
(Fri Apr 06 2012 - 06:12:00 PDT)
Ray Luo
Re: [AMBER] Radii in prmtop
(Sun Apr 29 2012 - 14:52:10 PDT)
Ray Luo, Ph.D.
[AMBER] Fwd: mbondi3
(Mon Apr 30 2012 - 10:34:30 PDT)
Re: [AMBER] mbondi3
(Mon Apr 30 2012 - 09:02:53 PDT)
Re: [AMBER] Electrostatic potential calculation
(Sat Apr 28 2012 - 21:05:32 PDT)
Re: [AMBER] MM/PBSA calculations
(Fri Apr 20 2012 - 16:46:29 PDT)
Re: [AMBER] Error while running mm_pbsa.pl
(Mon Apr 16 2012 - 09:33:09 PDT)
Re: [AMBER] Electrostatic potential calculation
(Mon Apr 16 2012 - 07:12:50 PDT)
Re: [AMBER] Electrostatic potential calculation
(Sat Apr 14 2012 - 14:36:34 PDT)
Re: [AMBER] Electrostatic potential calculation
(Fri Apr 13 2012 - 22:54:33 PDT)
Richard Lonsdale
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 13:51:42 PDT)
Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 11:10:21 PDT)
[AMBER] Installation problem for Ambertools 12 on Mac OS X Lion
(Sun Apr 22 2012 - 00:26:46 PDT)
Robert Crovella
Re: [AMBER] using two GPUs
(Tue Apr 24 2012 - 07:39:49 PDT)
Re: [AMBER] using two GPUs
(Sat Apr 21 2012 - 05:50:31 PDT)
Re: [AMBER] using two GPUs
(Fri Apr 20 2012 - 19:07:32 PDT)
Robin Betz
Re: [AMBER] parallelization of paramfit in ambertools12
(Tue Apr 17 2012 - 11:28:18 PDT)
Re: [AMBER] parallelization of paramfit in ambertools12
(Mon Apr 16 2012 - 23:00:51 PDT)
Re: [AMBER] parallelization of paramfit in ambertools12
(Mon Apr 16 2012 - 15:13:05 PDT)
ros
Re: [AMBER] How can I exert external force in the end of DNA?
(Thu Apr 19 2012 - 08:36:33 PDT)
Ross Walker
Re: [AMBER] "Spiderweb"
(Thu Apr 26 2012 - 06:59:00 PDT)
Re: [AMBER] sander and pmemd
(Thu Apr 26 2012 - 06:53:33 PDT)
Re: [AMBER] (GPU) preformance of amber 12
(Mon Apr 23 2012 - 19:13:30 PDT)
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 04:28:33 PDT)
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 04:10:37 PDT)
Re: [AMBER] Error compiling pmemd.cuda.MPI
(Fri Apr 13 2012 - 12:46:04 PDT)
Re: [AMBER] Error compiling pmemd.cuda.MPI
(Fri Apr 13 2012 - 09:21:49 PDT)
Re: [AMBER] Could not read velocities from restart file
(Wed Apr 11 2012 - 12:37:04 PDT)
Re: [AMBER] R: Error: unspecified launch failure launching kernel kReduceForces
(Wed Apr 11 2012 - 09:23:06 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 15:49:33 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 15:31:43 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 15:24:05 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 13:59:26 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 13:20:38 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 11:41:49 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:42:48 PDT)
Re: [AMBER] is there any tutorial for membrane protein simulations for Amber 12?
(Tue Apr 10 2012 - 09:15:31 PDT)
Re: [AMBER] What is major difference between Amber11 and Amber12
(Fri Apr 06 2012 - 09:58:45 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 09:42:55 PDT)
Re: [AMBER] Particles moving outside of simulation box for pmemd.cuda.mpi
(Tue Apr 03 2012 - 16:14:19 PDT)
Re: [AMBER] GPU test fails
(Tue Apr 03 2012 - 13:00:57 PDT)
Re: [AMBER] RE GPU test fails
(Tue Apr 03 2012 - 11:35:57 PDT)
Re: [AMBER] Amber GPU test fails
(Mon Apr 02 2012 - 21:08:07 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 09:56:55 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Mon Apr 02 2012 - 09:36:38 PDT)
Sajeewa Pemasinghe
[AMBER] Fwd: Creating a concatenated coordinate file for LES
(Sun Apr 29 2012 - 06:50:31 PDT)
[AMBER] Creating a concatenated coordinate file for LES
(Thu Apr 26 2012 - 19:01:22 PDT)
[AMBER] Creating a concatenated coordinate file for LES
(Thu Apr 26 2012 - 14:38:15 PDT)
Scott Brozell
Re: [AMBER] Amber using Gaussian input
(Tue Apr 24 2012 - 00:51:32 PDT)
Scott Le Grand
Re: [AMBER] (GPU) preformance of amber 12
(Fri Apr 20 2012 - 09:44:09 PDT)
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 04:55:06 PDT)
Re: [AMBER] what's the amber efficiency?
(Sat Apr 14 2012 - 09:03:49 PDT)
Re: [AMBER] Error: unspecified launch failure launching kernel kReduceForces
(Wed Apr 11 2012 - 08:57:43 PDT)
Senthil Natesan
Re: [AMBER] AmberTools12 Installation Error - [SOLVED]
(Mon Apr 16 2012 - 17:40:28 PDT)
[AMBER] AmberTools12 Installation Error
(Mon Apr 16 2012 - 12:59:20 PDT)
setyanto md
Re: [AMBER] Asking About Differences between amber force field ff10 and ff03
(Mon Apr 02 2012 - 01:30:42 PDT)
Re: [AMBER] Problem in Amber installation
(Mon Apr 02 2012 - 01:11:55 PDT)
Sharma, Purshotam
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 22:51:05 PDT)
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 20:49:01 PDT)
Re: [AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 20:46:29 PDT)
[AMBER] : wrong charge calculation by xleap
(Fri Apr 13 2012 - 17:52:02 PDT)
Shaw, Sharon
Re: [AMBER] AMBER12 build on Linux x86_64
(Tue Apr 24 2012 - 13:11:07 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Tue Apr 24 2012 - 08:00:37 PDT)
Re: [AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 13:51:14 PDT)
[AMBER] AMBER12 build on Linux x86_64
(Mon Apr 23 2012 - 11:41:36 PDT)
Re: [AMBER] Amber 12 - Check for updates failed
(Thu Apr 19 2012 - 13:48:05 PDT)
Re: [AMBER] Amber 12 - Check for updates failed
(Thu Apr 19 2012 - 12:37:06 PDT)
[AMBER] Amber 12 - Check for updates failed
(Thu Apr 19 2012 - 12:08:26 PDT)
Shulin Zhuang
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Fri Apr 27 2012 - 23:21:31 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Wed Apr 25 2012 - 17:49:21 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Wed Apr 25 2012 - 17:23:32 PDT)
Re: [AMBER] Amber 12 Installation errors relevant to fftw3
(Tue Apr 24 2012 - 18:08:07 PDT)
[AMBER] Amber 12 Installation errors relevant to fftw3
(Tue Apr 24 2012 - 02:15:05 PDT)
Re: [AMBER] Why RMSD goes fast to 5 angstrom?
(Wed Apr 18 2012 - 05:42:03 PDT)
[AMBER] Fwd: Why RMSD goes fast to 5 angstrom?
(Tue Apr 17 2012 - 20:14:04 PDT)
[AMBER] Why RMSD goes fast to 5 angstrom?
(Tue Apr 17 2012 - 19:26:20 PDT)
Shuyi Cao
[AMBER] AMBER 11 sander segmentation fault
(Mon Apr 23 2012 - 16:32:21 PDT)
Sidney Elmer
Re: [AMBER] problem installing AmberTools 12 on Mac OS X Lion
(Wed Apr 18 2012 - 11:11:14 PDT)
[AMBER] problem installing AmberTools 12 on Mac OS X Lion
(Wed Apr 18 2012 - 01:11:01 PDT)
Re: [AMBER] parallelization of paramfit in ambertools12
(Tue Apr 17 2012 - 00:38:06 PDT)
Somnath Nandy
Re: [AMBER] Query regarding Amber Installation
(Fri Apr 13 2012 - 04:09:40 PDT)
[AMBER] Query regarding Amber Installation
(Thu Apr 12 2012 - 06:02:53 PDT)
[AMBER] Query regarding Amber 11
(Thu Apr 12 2012 - 05:39:42 PDT)
steinbrt.rci.rutgers.edu
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 04:10:10 PDT)
Re: [AMBER] how to improve GPU running?
(Wed Apr 18 2012 - 00:36:38 PDT)
Re: [AMBER] Why RMSD goes fast to 5 angstrom?
(Wed Apr 18 2012 - 00:21:30 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI SOLVED
(Wed Apr 11 2012 - 06:20:39 PDT)
Re: [AMBER] AMBER 99SB force field used by GROMACS
(Tue Apr 10 2012 - 07:18:40 PDT)
Re: [AMBER] Could not read velocities from restart file
(Tue Apr 10 2012 - 07:08:14 PDT)
Re: [AMBER] Units of the output file.
(Tue Apr 10 2012 - 06:06:32 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 13:33:05 PDT)
Re: [AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 07:58:48 PDT)
[AMBER] Odd coordinate writing problem in pmemd.MPI
(Thu Apr 05 2012 - 05:49:40 PDT)
Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex
(Mon Apr 02 2012 - 06:50:45 PDT)
Sudarshan Debnath
[AMBER] Electrostatic potential calculation
(Sat Apr 28 2012 - 05:13:08 PDT)
[AMBER] Electrostatic potential calculation
(Mon Apr 16 2012 - 06:47:57 PDT)
[AMBER] Electrostatic potential calculation
(Sat Apr 14 2012 - 06:03:52 PDT)
[AMBER] Electrostatic potential calculation
(Fri Apr 13 2012 - 21:43:31 PDT)
[AMBER] Electrostatic potential calculation
(Fri Apr 13 2012 - 09:50:53 PDT)
[AMBER] Electrostatic potential calculation
(Fri Apr 13 2012 - 07:17:04 PDT)
sławek bojarowski
[AMBER] Residue mismatch - Amber11
(Tue Apr 10 2012 - 14:47:18 PDT)
Thales Kronenberger
Re: [AMBER] Old version
(Thu Apr 19 2012 - 13:18:36 PDT)
Thomas Cheatham
Re: [AMBER] 1-4 EEL meaning
(Wed Apr 25 2012 - 11:34:24 PDT)
Re: [AMBER] About restraint
(Tue Apr 17 2012 - 20:30:03 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 20:04:34 PDT)
Thomas Cheatham III
Re: [AMBER] Amber11: running ptraj
(Wed Apr 18 2012 - 11:37:24 PDT)
Re: [AMBER] ion parameters in simulations with nucleic acids
(Tue Apr 10 2012 - 11:44:57 PDT)
Thomas Evangelidis
Re: [AMBER] :Re: "closest" command in cpptraj
(Tue Apr 17 2012 - 07:29:51 PDT)
Tommy Yap
Re: [AMBER] Creating input file for Protein-protein simulation
(Tue Apr 17 2012 - 20:09:54 PDT)
[AMBER] Creating input file for Protein-protein simulation
(Tue Apr 17 2012 - 00:51:41 PDT)
Tong Zhu
[AMBER] ff12SB with Na+ ion
(Wed Apr 25 2012 - 03:56:33 PDT)
[AMBER] Use effective core potential in amber QM/MM calculation with Gaussian
(Wed Apr 18 2012 - 02:46:43 PDT)
Urszula Uciechowska
Re: [AMBER] parameters for Lys-sugar leap errors
(Thu Apr 26 2012 - 02:41:01 PDT)
Re: [AMBER] parameters for Lys-sugar
(Mon Apr 23 2012 - 03:38:24 PDT)
Re: [AMBER] P2N file error from RED
(Fri Apr 20 2012 - 01:22:51 PDT)
Re: [AMBER] P2N file error from RED
(Fri Apr 20 2012 - 00:57:43 PDT)
[AMBER] P2N file error from RED
(Tue Apr 17 2012 - 05:59:11 PDT)
[AMBER] parameters for Lys-sugar P2N file
(Thu Apr 12 2012 - 01:48:53 PDT)
Re: [AMBER] parameters for Lys-sugar P2N file
(Wed Apr 11 2012 - 09:33:52 PDT)
Victor Ma
Re: [AMBER] Need help with MMPBSA.MPI
(Mon Apr 16 2012 - 09:31:36 PDT)
[AMBER] Need help with MMPBSA.MPI
(Mon Apr 16 2012 - 09:12:31 PDT)
Vijay Manickam Achari
[AMBER] testing amber12 fails
(Sun Apr 29 2012 - 01:17:47 PDT)
Re: [AMBER] using two GPUs
(Wed Apr 25 2012 - 17:57:04 PDT)
Re: [AMBER] using two GPUs
(Wed Apr 25 2012 - 11:41:59 PDT)
Re: [AMBER] using two GPUs
(Tue Apr 24 2012 - 22:34:52 PDT)
Re: [AMBER] using two GPUs
(Mon Apr 23 2012 - 22:16:49 PDT)
Re: [AMBER] using two GPUs
(Fri Apr 20 2012 - 20:14:51 PDT)
[AMBER] using two GPUs
(Fri Apr 20 2012 - 17:39:33 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Fri Apr 20 2012 - 05:19:55 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Wed Apr 18 2012 - 07:49:41 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Wed Apr 18 2012 - 00:11:39 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 19:37:59 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 09:06:41 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Tue Apr 17 2012 - 00:58:30 PDT)
Re: [AMBER] error installing Amber12-gpu version
(Mon Apr 16 2012 - 05:48:37 PDT)
[AMBER] error installing Amber12-gpu version
(Mon Apr 16 2012 - 01:25:09 PDT)
Vlad Cojocaru
Re: [AMBER] RAMD simulations
(Mon Apr 30 2012 - 07:23:30 PDT)
Re: [AMBER] ion parameters in simulations with nucleic acids
(Tue Apr 10 2012 - 14:51:57 PDT)
Re: [AMBER] using both the ILDN and NMR-based modifications of ff99SB
(Thu Apr 05 2012 - 06:58:42 PDT)
[AMBER] using both the ILDN and NMR-based modifications of ff99SB
(Thu Apr 05 2012 - 05:42:38 PDT)
[AMBER] ion parameters in simulations with nucleic acids
(Thu Apr 05 2012 - 04:54:12 PDT)
VladanStefanovic.kg.ac.rs
[AMBER] NUCGEN and FORCE Field disfunction
(Thu Apr 19 2012 - 03:00:16 PDT)
Xianwei Wang
[AMBER] how to add a electric field?
(Thu Apr 05 2012 - 05:59:19 PDT)
xiaojiong
[AMBER] the problem of charge
(Sat Apr 28 2012 - 18:03:08 PDT)
[AMBER] calculation parallel
(Sat Apr 28 2012 - 17:59:56 PDT)
[AMBER] sander and pmemd
(Thu Apr 26 2012 - 04:56:18 PDT)
xmzpzengs
[AMBER] amber 10 nmode error.
(Mon Apr 23 2012 - 01:26:04 PDT)
Yang, Yue
Re: [AMBER] Problems with atom type in sidechain.bcl
(Mon Apr 23 2012 - 16:31:32 PDT)
Re: [AMBER] QM/MM ATP-Mg2+ system
(Mon Apr 23 2012 - 16:26:06 PDT)
Yi An
[AMBER] water cap simulation
(Fri Apr 27 2012 - 14:08:03 PDT)
zhangaidi
[AMBER] error Building proper torsion parameters.
(Fri Apr 20 2012 - 10:52:29 PDT)
Re: [AMBER] [amber] error: could not parse gb output files! check for missing values (*********).
(Sat Apr 14 2012 - 04:57:24 PDT)
[AMBER] Error: Could not parse GB output files! Check for missing values (*********).
(Wed Apr 11 2012 - 07:35:40 PDT)
[AMBER] Error: Could not parse GB output files! Check for missing values (*********).
(Wed Apr 11 2012 - 07:24:50 PDT)
ZhaoLei
[AMBER] ★what's new?◆amber◆
(Thu Apr 19 2012 - 12:12:48 PDT)
本人
Re: [AMBER] [amber] error building proper torsion parameters.
(Wed Apr 25 2012 - 00:45:05 PDT)
Re: [AMBER] [amber] error building proper torsion parameters.
(Mon Apr 23 2012 - 08:02:37 PDT)
板垣哲彦
Re: [AMBER] Partitioning issue of sander
(Tue Apr 17 2012 - 05:30:59 PDT)
[AMBER] Partitioning issue of sander
(Sun Apr 15 2012 - 19:00:14 PDT)
Last message date
:
Mon Apr 30 2012 - 21:00:02 PDT
Archived on
: Fri Apr 26 2024 - 05:54:36 PDT
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