Amber Archive Jul 2013 by author
779 messages
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Starting
Sun Jun 30 2013 - 23:30:02 PDT,
Ending
Wed Jul 31 2013 - 20:30:04 PDT
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#YIP YEW MUN#
[AMBER] Processing of output files using process_mdout.perl
(Tue Jul 16 2013 - 21:49:18 PDT)
[AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 02:24:19 PDT)
[AMBER] Is it possible to do constant pH simulations by titrating the basic residues as well?
(Thu Jul 11 2013 - 00:58:41 PDT)
Re: [AMBER] How to run aMD with amber?
(Tue Jul 09 2013 - 01:07:14 PDT)
372133720
[AMBER] mdread
(Tue Jul 30 2013 - 03:36:25 PDT)
Adrian Roitberg
Re: [AMBER] How to assign initial velocities (directly not by increasing temeperature) to water molecules
(Tue Jul 30 2013 - 14:45:21 PDT)
Re: [AMBER] Problem related to the umbrella sampling
(Thu Jul 11 2013 - 11:49:17 PDT)
Alan
Re: [AMBER] using acpype with AMBER13 Error: /bin/sh: 1: -i: not found
(Sun Jul 21 2013 - 01:27:50 PDT)
Alexander Button
[AMBER] Problems with NAB
(Wed Jul 24 2013 - 00:42:51 PDT)
[AMBER] Problems running NAB scripts in the manual
(Wed Jul 17 2013 - 00:08:09 PDT)
Alfredo Quevedo
Re: [AMBER] QM/MM using Gaussian03 as External
(Thu Jul 25 2013 - 10:41:56 PDT)
[AMBER] QM/MM using Gaussian03 as External
(Wed Jul 24 2013 - 08:07:41 PDT)
amenshamim.bs.qau.edu.pk
[AMBER] Ligand show error in Dock complex
(Thu Jul 04 2013 - 01:40:58 PDT)
Andreas Goetz
Re: [AMBER] QM/MM using Gaussian03 as External
(Thu Jul 25 2013 - 16:11:37 PDT)
Re: [AMBER] QM/MM using Gaussian03 as External
(Wed Jul 24 2013 - 13:58:19 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Tue Jul 02 2013 - 13:59:24 PDT)
ANDREI LEITaO
Re: [AMBER] Problem regarding the cuda installation using NetCFD.
(Fri Jul 26 2013 - 13:22:28 PDT)
[AMBER] Problem regarding the cuda installation using NetCFD.
(Sun Jul 21 2013 - 15:29:38 PDT)
anu chandra
Re: [AMBER] Interaction energy-based residue-residue correlation matrix
(Sun Jul 28 2013 - 23:36:13 PDT)
[AMBER] Interaction energy-based residue-residue correlation matrix
(Sun Jul 28 2013 - 22:54:17 PDT)
Aronica, Pietro
Re: [AMBER] Parmed.py deletedihedral
(Wed Jul 24 2013 - 06:09:45 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 07:52:56 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 04:43:23 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 03:37:23 PDT)
[AMBER] Parmed.py deletedihedral
(Mon Jul 22 2013 - 09:28:28 PDT)
Asmita Gupta
[AMBER] validation of MMPBSA results
(Fri Jul 26 2013 - 08:52:11 PDT)
Re: [AMBER] MMPBSA.MPI:IndexError: list index out of range
(Wed Jul 03 2013 - 03:58:39 PDT)
[AMBER] MMPBSA.MPI:IndexError: list index out of range
(Wed Jul 03 2013 - 03:56:08 PDT)
Re: [AMBER] ambertools update 10 problem
(Tue Jul 02 2013 - 07:51:00 PDT)
[AMBER] ambertools update 10 problem
(Tue Jul 02 2013 - 07:29:26 PDT)
Re: [AMBER] MMPBSA.py.MPI run issues
(Mon Jul 01 2013 - 23:13:20 PDT)
[AMBER] MMPBSA.py.MPI run issues
(Mon Jul 01 2013 - 06:01:11 PDT)
Ayesha Fatima
[AMBER] simulating complexes
(Thu Jul 04 2013 - 09:00:53 PDT)
B. Bowie
[AMBER] about adding counter ions
(Sun Jul 28 2013 - 21:44:15 PDT)
Baldoni Hector Armando
Re: [AMBER] cyclic-di-nucleotid
(Mon Jul 08 2013 - 07:13:15 PDT)
Ben Roberts
Re: [AMBER] MCPB
(Mon Jul 29 2013 - 01:44:59 PDT)
BERGY
Re: [AMBER] MMPBSA Alanine scan terminal residues
(Tue Jul 23 2013 - 00:38:29 PDT)
berin karaman
[AMBER] igb8 SURFTEN SURFOFF
(Wed Jul 31 2013 - 01:33:21 PDT)
Biao Ma
Re: [AMBER] about run REMD(replica exchange molecular dynamic)
(Fri Jul 05 2013 - 00:47:48 PDT)
Re: [AMBER] 回复：Re: ???Re: FATAL: Atom XXX does not have a type
(Wed Jul 03 2013 - 20:12:09 PDT)
[AMBER] about run REMD(replica exchange molecular dynamic)
(Wed Jul 03 2013 - 17:47:32 PDT)
Bill Miller III
Re: [AMBER] Multiple Trajectory MMPBSA
(Fri Jul 19 2013 - 13:03:04 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Mon Jul 01 2013 - 06:11:12 PDT)
Bill Ross
Re: [AMBER] question of Radius of Gyration
(Tue Jul 09 2013 - 22:24:33 PDT)
Brent Krueger
Re: [AMBER] Resp fiiting method and theory
(Wed Jul 17 2013 - 05:45:06 PDT)
Brian Radak
[AMBER] constructing single nucleotides in leap
(Wed Jul 31 2013 - 06:21:23 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Tue Jul 02 2013 - 07:04:48 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Tue Jul 02 2013 - 06:34:40 PDT)
[AMBER] AMBER atom types in parm10.dat don't match antechamber
(Mon Jul 01 2013 - 07:50:13 PDT)
Carlos Simmerling
Re: [AMBER] MM-GBSA igb=2 or igb=5? [Ref: Exploring Protein Native States and Large-Scale Conformational Changes With a Modified Generalized Born Model]
(Wed Jul 31 2013 - 04:47:38 PDT)
Re: [AMBER] Asking suggestion
(Fri Jul 19 2013 - 22:07:26 PDT)
Re: [AMBER] Residue chirality
(Thu Jul 11 2013 - 09:03:35 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 05:45:03 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 18:05:36 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 16:51:31 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 09:42:02 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 05:53:28 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 05:06:05 PDT)
Cassandra Churchill
[AMBER] cpptraj hbond bridgeout problems with V13.0
(Tue Jul 16 2013 - 09:54:40 PDT)
Catein Catherine
[AMBER] MM-GBSA igb=2 or igb=5? [Ref: Exploring Protein Native States and Large-Scale Conformational Changes With a Modified Generalized Born Model]
(Wed Jul 31 2013 - 00:16:46 PDT)
[AMBER] Request Force Fields References
(Tue Jul 30 2013 - 08:24:11 PDT)
[AMBER] Force Field for DNA-Protein complex
(Tue Jul 30 2013 - 05:05:12 PDT)
Changqing Yan
[AMBER] Entropy calculation error
(Tue Jul 23 2013 - 05:58:43 PDT)
Re: [AMBER] mmPBSA.py: mmGBSA and solute dielectric constant
(Thu Jul 04 2013 - 08:19:11 PDT)
Chinh Su Tran To
Re: [AMBER] question of Radius of Gyration
(Mon Jul 15 2013 - 23:58:46 PDT)
Re: [AMBER] question of Radius of Gyration
(Sun Jul 07 2013 - 21:15:05 PDT)
Re: [AMBER] question of Radius of Gyration
(Thu Jul 04 2013 - 22:00:48 PDT)
[AMBER] question of Radius of Gyration
(Thu Jul 04 2013 - 04:55:38 PDT)
Chinthaka Ratnaweera
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 15:44:57 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 15:43:48 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 13:49:37 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 13:10:03 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 12:19:01 PDT)
Re: [AMBER] Creating a new Solvatebox
(Mon Jul 22 2013 - 17:52:45 PDT)
[AMBER] Creating a new Solvatebox
(Mon Jul 22 2013 - 14:41:54 PDT)
Christina Bergonzo
Re: [AMBER] Is it possible to do constant pH simulations by titrating the basic residues as well?
(Thu Jul 11 2013 - 08:03:19 PDT)
Collins Nganou
Re: [AMBER] Ambertools compilation without Netcdf
(Mon Jul 08 2013 - 23:48:24 PDT)
[AMBER] Ambertools compilation without Netcdf
(Mon Jul 08 2013 - 17:56:51 PDT)
Re: [AMBER] Error: Atom type amber99_42 (residue HOH) not found in atomtype database
(Sun Jul 07 2013 - 11:19:30 PDT)
[AMBER] Error: Atom type amber99_42 (residue HOH) not found in atomtype database
(Fri Jul 05 2013 - 13:26:58 PDT)
crazylyf
[AMBER] SA Bomb in sa_arc()3 error
(Mon Jul 08 2013 - 01:34:34 PDT)
crazylyf.126.com
Re: [AMBER] SA Bomb in sa_arc()3 error
(Mon Jul 08 2013 - 20:00:52 PDT)
Re: [AMBER] SA Bomb in sa_arc()3 error
(Mon Jul 08 2013 - 17:59:05 PDT)
cwt
[AMBER] how to add the pseudopotential via the Amber-Gaussian interface
(Wed Jul 31 2013 - 03:56:11 PDT)
Daniel Leclerc
[AMBER] NAB atom manipulation
(Wed Jul 17 2013 - 16:09:48 PDT)
Daniel Roe
Re: [AMBER] 答复: 答复: 答复: 答复: timecorr
(Tue Jul 30 2013 - 20:29:59 PDT)
Re: [AMBER] Interaction energy-based residue-residue correlation matrix
(Mon Jul 29 2013 - 09:48:01 PDT)
Re: [AMBER] DNA Phosphate error
(Sat Jul 27 2013 - 09:58:42 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Sat Jul 27 2013 - 09:31:40 PDT)
Re: [AMBER] 答复: 答复: 答复: timecorr
(Sat Jul 27 2013 - 09:29:56 PDT)
Re: [AMBER] Segmentation Error
(Sat Jul 27 2013 - 09:10:28 PDT)
Re: [AMBER] Segmentation Error
(Fri Jul 26 2013 - 05:41:08 PDT)
Re: [AMBER] PCA Contributions
(Thu Jul 25 2013 - 22:00:46 PDT)
Re: [AMBER] PCA Contributions
(Thu Jul 25 2013 - 15:09:58 PDT)
Re: [AMBER] residue selection
(Thu Jul 25 2013 - 07:43:34 PDT)
Re: [AMBER] extraction of specific region of the trajectory file using ptraj
(Wed Jul 24 2013 - 08:17:57 PDT)
Re: [AMBER] Asking suggestion
(Tue Jul 23 2013 - 06:27:56 PDT)
Re: [AMBER] plane-plane angle restraint
(Mon Jul 22 2013 - 16:33:40 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Mon Jul 22 2013 - 11:39:42 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sun Jul 21 2013 - 22:06:25 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sun Jul 21 2013 - 17:47:03 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sun Jul 21 2013 - 11:57:23 PDT)
Re: [AMBER] 答复: 答复: timecorr
(Sun Jul 21 2013 - 09:02:32 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sat Jul 20 2013 - 15:17:42 PDT)
Re: [AMBER] cpptraj hbond bridgeout problems with V13.0
(Tue Jul 16 2013 - 10:46:16 PDT)
Re: [AMBER] read trajectory using ambertools
(Mon Jul 15 2013 - 22:35:53 PDT)
Re: [AMBER] solvent accessible surface area (SASA)
(Sat Jul 13 2013 - 09:56:56 PDT)
Re: [AMBER] solvent accessible surface area (SASA)
(Sat Jul 13 2013 - 08:04:28 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Fri Jul 12 2013 - 09:19:13 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 21:04:39 PDT)
Re: [AMBER] Problems with generating histograms in AMBER tutorial 18
(Thu Jul 11 2013 - 20:20:04 PDT)
Re: [AMBER] Problems with generating histograms in AMBER tutorial 18
(Thu Jul 11 2013 - 19:48:59 PDT)
Re: [AMBER] hbond analysis - bridgeout
(Thu Jul 11 2013 - 16:18:01 PDT)
Re: [AMBER] hbond analysis - bridgeout
(Thu Jul 11 2013 - 12:00:05 PDT)
Re: [AMBER] Problem with visualization in VMD after using AUTOIMAGE
(Thu Jul 11 2013 - 10:38:23 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 08:41:43 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 07:44:40 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 20:31:27 PDT)
Re: [AMBER] Re-Imaging Trajectories
(Tue Jul 09 2013 - 19:47:15 PDT)
Re: [AMBER] Troubles with making a movie in VMD,
(Tue Jul 09 2013 - 12:43:05 PDT)
Re: [AMBER] Troubles with making a movie in VMD,
(Tue Jul 09 2013 - 12:31:07 PDT)
Re: [AMBER] 答复: timecorr
(Tue Jul 09 2013 - 07:08:04 PDT)
Re: [AMBER] Ambertools compilation without Netcdf
(Mon Jul 08 2013 - 20:00:03 PDT)
[AMBER] Update 12 for AmberTools 13: CPPTRAJ
(Mon Jul 08 2013 - 15:32:28 PDT)
Re: [AMBER] Bridging waters
(Mon Jul 08 2013 - 15:14:11 PDT)
Re: [AMBER] repeat amber run on cuda
(Fri Jul 05 2013 - 13:45:44 PDT)
Re: [AMBER] Is it possible to merge static PDB files of the same PDB ID to become a mdcrd file?
(Fri Jul 05 2013 - 08:50:17 PDT)
Re: [AMBER] question of Radius of Gyration
(Fri Jul 05 2013 - 07:51:38 PDT)
Re: [AMBER] question of Radius of Gyration
(Thu Jul 04 2013 - 10:36:11 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Wed Jul 03 2013 - 12:51:17 PDT)
Re: [AMBER] Problem related to the WHAM analysis
(Wed Jul 03 2013 - 06:53:46 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Wed Jul 03 2013 - 05:40:49 PDT)
Re: [AMBER] Exclude H-atom from bfactor calculation
(Tue Jul 02 2013 - 14:02:59 PDT)
Re: [AMBER] ambertools update 10 problem
(Tue Jul 02 2013 - 07:59:29 PDT)
Re: [AMBER] ambertools update 10 problem
(Tue Jul 02 2013 - 07:45:22 PDT)
Re: [AMBER] stopping simulation in between
(Tue Jul 02 2013 - 07:24:19 PDT)
Re: [AMBER] How to define NO SHAKE
(Tue Jul 02 2013 - 07:18:00 PDT)
[AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 21:32:22 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:17:59 PDT)
Re: [AMBER] VMD prepared errors (precise error messages)
(Mon Jul 01 2013 - 13:12:12 PDT)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
(Mon Jul 01 2013 - 12:30:27 PDT)
Re: [AMBER] Anomalous peak of RDF of water when using ptraj of AmberTools12
(Mon Jul 01 2013 - 09:30:56 PDT)
Daniel Sindhikara
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 02:41:12 PDT)
Re: [AMBER] Assigning protonation o residues for parallel tempering
(Tue Jul 09 2013 - 16:31:20 PDT)
Re: [AMBER] AMBER COMPATIBILITIES
(Fri Jul 05 2013 - 00:38:34 PDT)
David A Case
Re: [AMBER] MM-GBSA igb=2 or igb=5? [Ref: Exploring Protein Native States and Large-Scale Conformational Changes With a Modified Generalized Born Model]
(Wed Jul 31 2013 - 04:43:13 PDT)
Re: [AMBER] Request Force Fields References
(Tue Jul 30 2013 - 10:42:22 PDT)
Re: [AMBER] Force Field for DNA-Protein complex
(Tue Jul 30 2013 - 07:15:50 PDT)
Re: [AMBER] bond command
(Mon Jul 29 2013 - 06:29:01 PDT)
Re: [AMBER] about adding counter ions
(Mon Jul 29 2013 - 04:48:47 PDT)
Re: [AMBER] antechamber
(Mon Jul 29 2013 - 04:40:29 PDT)
Re: [AMBER] can thermodynamics integration be used for calculating binding free energy of peptides and proteins?
(Mon Jul 29 2013 - 04:32:50 PDT)
Re: [AMBER] speed of amber12
(Sun Jul 14 2013 - 19:33:20 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 06:02:35 PDT)
Re: [AMBER] Reference for TI derivation
(Fri Jul 12 2013 - 05:27:59 PDT)
Re: [AMBER] Amber12 installation on SGI cluster
(Thu Jul 11 2013 - 08:28:53 PDT)
Re: [AMBER] "Incomplete Improper Torsion line" error
(Thu Jul 11 2013 - 05:26:07 PDT)
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Tue Jul 09 2013 - 11:01:09 PDT)
Re: [AMBER] different results by sander and sander.MPI
(Tue Jul 09 2013 - 09:59:23 PDT)
Re: [AMBER] 答复: timecorr
(Tue Jul 09 2013 - 09:33:45 PDT)
Re: [AMBER] timecorr
(Tue Jul 09 2013 - 05:03:21 PDT)
Re: [AMBER] Negative Pressure During Equilibrium
(Tue Jul 09 2013 - 04:58:11 PDT)
Re: [AMBER] TIME(ps) value
(Mon Jul 08 2013 - 18:09:59 PDT)
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Mon Jul 08 2013 - 13:24:41 PDT)
Re: [AMBER] differences between amber ff10 and ff12SB
(Mon Jul 08 2013 - 13:09:00 PDT)
Re: [AMBER] update Ambertools 12 to 13 fails
(Mon Jul 08 2013 - 10:05:14 PDT)
Re: [AMBER] xlf Command not found
(Sat Jul 06 2013 - 05:47:57 PDT)
Re: [AMBER] constant pressure simulation
(Sat Jul 06 2013 - 05:39:43 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 19:44:25 PDT)
Re: [AMBER] compilation error: /usr/bin/ld: cannot find -lStatistics
(Fri Jul 05 2013 - 19:14:34 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 19:05:48 PDT)
Re: [AMBER] A General Question with regards to the NVT & NPT ensembles in MD Simulations
(Fri Jul 05 2013 - 06:01:28 PDT)
Re: [AMBER] Is it possible to merge static PDB files of the same PDB ID to become a mdcrd file?
(Fri Jul 05 2013 - 05:43:11 PDT)
Re: [AMBER] Abnormal simulation in the sulfonic acid group.
(Fri Jul 05 2013 - 05:40:40 PDT)
Re: [AMBER] unsubscribe
(Fri Jul 05 2013 - 05:39:27 PDT)
Re: [AMBER] about run REMD(replica exchange molecular dynamic)
(Fri Jul 05 2013 - 05:40:47 PDT)
Re: [AMBER] AMBER COMPATIBILITIES
(Fri Jul 05 2013 - 05:38:01 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 05:35:58 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 06:09:09 PDT)
Re: [AMBER] Abnormal simulation in the sulfonic acid group.
(Thu Jul 04 2013 - 06:08:01 PDT)
Re: [AMBER] Ligand show error in Dock complex
(Thu Jul 04 2013 - 05:58:04 PDT)
Re: [AMBER] Line minimizer aborted: step at lower bound
(Wed Jul 03 2013 - 05:02:41 PDT)
Re: [AMBER] Fixing pdb files prepared in VMD, minor errors
(Tue Jul 02 2013 - 10:37:29 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Tue Jul 02 2013 - 05:13:16 PDT)
Re: [AMBER] Fixing pdb files prepared in VMD, minor errors
(Tue Jul 02 2013 - 05:03:01 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Mon Jul 01 2013 - 18:54:19 PDT)
Re: [AMBER] Fixing pdb files prepared in VMD, minor errors
(Mon Jul 01 2013 - 18:44:57 PDT)
Re: [AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 18:38:11 PDT)
Re: [AMBER] viewing PREPIN/PREPC files
(Mon Jul 01 2013 - 18:21:42 PDT)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
(Mon Jul 01 2013 - 09:12:54 PDT)
David A. Case
Re: [AMBER] Amber force field for Benzene sulfonamide.
(Thu Jul 25 2013 - 10:48:13 PDT)
Re: [AMBER] Modified Nucleic Acid
(Thu Jul 25 2013 - 07:52:28 PDT)
Re: [AMBER] residue selection
(Thu Jul 25 2013 - 06:28:06 PDT)
Re: [AMBER] Problem in running antechamber.Unable to achieve self consistency to the tolerances specified
(Wed Jul 24 2013 - 07:11:01 PDT)
Re: [AMBER] Problems with NAB
(Wed Jul 24 2013 - 07:07:51 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 08:02:01 PDT)
Re: [AMBER] setting up non-standard amino acid residues for MD simulation
(Tue Jul 23 2013 - 07:04:26 PDT)
Re: [AMBER] Creating a new Solvatebox
(Mon Jul 22 2013 - 15:49:17 PDT)
Re: [AMBER] Problem regarding the cuda installation using NetCFD.
(Sun Jul 21 2013 - 20:58:39 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sun Jul 21 2013 - 20:49:10 PDT)
Re: [AMBER] NAB atom manipulation
(Thu Jul 18 2013 - 08:43:09 PDT)
Re: [AMBER] improper dihedral with gaff
(Thu Jul 18 2013 - 08:43:19 PDT)
Re: [AMBER] xleap, unit connectivity and atom name
(Wed Jul 17 2013 - 07:39:28 PDT)
Re: [AMBER] Antechamber problem with sqm
(Mon Jul 15 2013 - 10:58:51 PDT)
devawati dutta
[AMBER] Problem in running antechamber.Unable to achieve self consistency to the tolerances specified
(Wed Jul 24 2013 - 01:25:36 PDT)
Dickson, Callum
Re: [AMBER] Calculating diffusion Constant D
(Fri Jul 26 2013 - 03:14:43 PDT)
Re: [AMBER] Calculating diffusion Constant D
(Thu Jul 25 2013 - 03:39:30 PDT)
Re: [AMBER] Calculating diffusion Constant D
(Thu Jul 25 2013 - 03:32:39 PDT)
Dwight McGee
Re: [AMBER] MMPBSA.py
(Thu Jul 25 2013 - 20:05:36 PDT)
eneas.usal.es
[AMBER] Resp fiiting method and theory
(Tue Jul 16 2013 - 07:22:56 PDT)
Eric Berquist
Re: [AMBER] Copper parametrization for a laccase center
(Fri Jul 05 2013 - 17:14:08 PDT)
ET
Re: [AMBER] Message to AMBER GeForce GPU Users
(Wed Jul 17 2013 - 01:07:07 PDT)
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 22:35:10 PDT)
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 22:14:42 PDT)
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 20:45:29 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 18:58:32 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 11:46:33 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 09:23:22 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 07:52:04 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 05:05:21 PDT)
Re: [AMBER] Re-Imaging Trajectories
(Wed Jul 10 2013 - 13:26:11 PDT)
Re: [AMBER] AMBER GPU Job Write Fails
(Wed Jul 10 2013 - 06:26:48 PDT)
Re: [AMBER] GTX780 News
(Mon Jul 08 2013 - 00:29:23 PDT)
Re: [AMBER] GTX780 News
(Wed Jul 03 2013 - 04:58:40 PDT)
Fabrício Bracht
Re: [AMBER] Distance based mask for qmmask
(Wed Jul 31 2013 - 12:05:00 PDT)
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:39:32 PDT)
[AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 12:27:49 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 21:12:24 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 20:55:24 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 20:18:14 PDT)
Re: [AMBER] hbond analysis - bridgeout
(Thu Jul 11 2013 - 16:31:43 PDT)
Re: [AMBER] hbond analysis - bridgeout
(Thu Jul 11 2013 - 16:09:32 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 16:04:14 PDT)
[AMBER] hbond analysis - bridgeout
(Thu Jul 11 2013 - 11:04:01 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 10:30:51 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 09:43:23 PDT)
[AMBER] Bridging waters
(Mon Jul 08 2013 - 14:54:19 PDT)
[AMBER] fix_traj_parm.py problems
(Mon Jul 08 2013 - 11:32:49 PDT)
Fenley, Andrew
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 21:11:57 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 20:56:50 PDT)
Fernando Martín García
Re: [AMBER] MMPBSA.py problem
(Wed Jul 17 2013 - 05:54:57 PDT)
[AMBER] MMPBSA.py problem
(Wed Jul 17 2013 - 02:44:18 PDT)
Francesco Pietra
[AMBER] Assigning protonation o residues for parallel tempering
(Tue Jul 09 2013 - 10:04:58 PDT)
Frank Thommen
Re: [AMBER] 'undefined reference to MPI::...' error messages when compiling Amber 12 on CentOS 6 for "-mpi -cuda"
(Fri Jul 05 2013 - 08:57:05 PDT)
[AMBER] 'undefined reference to MPI::...' error messages when compiling Amber 12 on CentOS 6 for "-mpi -cuda"
(Fri Jul 05 2013 - 02:45:07 PDT)
FyD
[AMBER] Checking Sander energy values
(Wed Jul 31 2013 - 00:15:15 PDT)
Re: [AMBER] Methods for RESP charge generation
(Mon Jul 29 2013 - 00:23:05 PDT)
Re: [AMBER] Amber force field for Benzene sulfonamide.
(Fri Jul 26 2013 - 01:40:30 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Fri Jul 26 2013 - 01:36:58 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Thu Jul 25 2013 - 00:14:25 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Wed Jul 24 2013 - 23:58:19 PDT)
Re: [AMBER] simulating Modified residue of Cysteine attached to mercury
(Wed Jul 24 2013 - 00:58:12 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Tue Jul 23 2013 - 23:06:30 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Tue Jul 23 2013 - 22:57:56 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Mon Jul 22 2013 - 03:17:49 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sat Jul 20 2013 - 09:54:40 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sat Jul 20 2013 - 03:14:25 PDT)
Re: [AMBER] How to add metal ions?
(Wed Jul 17 2013 - 07:09:30 PDT)
Re: [AMBER] Resp fiiting method and theory
(Tue Jul 16 2013 - 09:11:26 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 16 2013 - 08:05:11 PDT)
Re: [AMBER] Resp charges for large number of atoms in an ONIOM calculation
(Tue Jul 16 2013 - 06:13:26 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Thu Jul 11 2013 - 06:12:42 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Thu Jul 11 2013 - 01:29:39 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Wed Jul 10 2013 - 07:53:34 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Wed Jul 10 2013 - 01:16:45 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 09 2013 - 07:22:08 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 09 2013 - 06:57:53 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 09 2013 - 06:09:16 PDT)
Re: [AMBER] cyclic-di-nucleotid
(Sun Jul 07 2013 - 09:09:23 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sun Jul 07 2013 - 09:03:25 PDT)
Re: [AMBER] FATAL: Atom XXX does not have a type
(Sun Jul 07 2013 - 08:59:04 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Sun Jul 07 2013 - 08:50:28 PDT)
Re: [AMBER] Re?Re: FATAL: Atom XXX does not have a type
(Thu Jul 04 2013 - 08:22:40 PDT)
Re: [AMBER] ???Re: ???Re: FATAL: Atom XXX does not have a type
(Thu Jul 04 2013 - 08:14:33 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Thu Jul 04 2013 - 07:51:16 PDT)
Re: [AMBER] re
(Wed Jul 03 2013 - 02:26:27 PDT)
Re: [AMBER] FATAL: Atom XXX does not have a type
(Tue Jul 02 2013 - 08:00:58 PDT)
Re: [AMBER] ???Re: FATAL: Atom XXX does not have a type
(Tue Jul 02 2013 - 06:00:01 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Tue Jul 02 2013 - 00:45:47 PDT)
Re: [AMBER] viewing PREPIN/PREPC files
(Tue Jul 02 2013 - 00:24:53 PDT)
Gannett, Peter
Re: [AMBER] MMPBSA.py
(Fri Jul 26 2013 - 07:45:05 PDT)
George Green
Re: [AMBER] mmpbsa nonpolar contribution using stability calculations
(Wed Jul 31 2013 - 01:08:06 PDT)
[AMBER] mmpbsa nonpolar contribution using stability calculations
(Mon Jul 29 2013 - 16:08:18 PDT)
George Patargias
Re: [AMBER] Methylated histidine lib and frcomd files
(Thu Jul 11 2013 - 03:59:26 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Wed Jul 10 2013 - 09:00:42 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Wed Jul 10 2013 - 00:21:52 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 09 2013 - 07:07:10 PDT)
Re: [AMBER] Methylated histidine lib and frcomd files
(Tue Jul 09 2013 - 06:38:17 PDT)
George Tzotzos
[AMBER] Amber12 installation on SGI cluster
(Thu Jul 11 2013 - 07:51:25 PDT)
Re: [AMBER] Amber 12 installation on OSX
(Fri Jul 05 2013 - 12:13:18 PDT)
[AMBER] Amber 12 installation on OSX
(Fri Jul 05 2013 - 11:42:37 PDT)
GESTION DE ACTIVOS DE TI
[AMBER] unsubscribe
(Fri Jul 05 2013 - 00:57:51 PDT)
[AMBER] AMBER COMPATIBILITIES
(Fri Jul 05 2013 - 00:11:43 PDT)
Gustavo Seabra
[AMBER-Developers] Amber Workshop in Brazil
(Thu Jul 18 2013 - 05:22:45 PDT)
Hai Nguyen
Re: [AMBER] igb8 SURFTEN SURFOFF
(Wed Jul 31 2013 - 13:03:57 PDT)
Hailin Huang
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 16:37:35 PDT)
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 16:22:31 PDT)
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 16:01:18 PDT)
[AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 14:23:24 PDT)
Hamed S. Hayatshahi
Re: [AMBER] Problem with increasing values in limits.h for resp
(Wed Jul 24 2013 - 10:53:40 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Tue Jul 23 2013 - 18:52:51 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Tue Jul 23 2013 - 09:08:27 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Mon Jul 22 2013 - 10:44:50 PDT)
[AMBER] Problem with increasing values in limits.h for resp
(Sun Jul 21 2013 - 18:32:33 PDT)
Re: [AMBER] Resp charges for large number of atoms in an ONIOM calculation
(Tue Jul 16 2013 - 09:48:27 PDT)
Hannes Loeffler
Re: [AMBER] online server of amber
(Fri Jul 19 2013 - 02:15:32 PDT)
[AMBER] antechamber issues
(Wed Jul 17 2013 - 02:02:47 PDT)
Re: [AMBER] espgen and G09
(Thu Jul 11 2013 - 09:17:15 PDT)
[AMBER] espgen and G09
(Thu Jul 11 2013 - 07:28:32 PDT)
hannes.loeffler.stfc.ac.uk
Re: [AMBER] antechamber issues
(Thu Jul 18 2013 - 10:09:49 PDT)
Harald Lanig
[AMBER] 2013 Symposium on Theoretical Chemistry in Erlangen, Germany, September 22nd to 26th
(Thu Jul 04 2013 - 01:45:30 PDT)
Hector A. Baldoni
[AMBER] cyclic-di-nucleotid
(Fri Jul 05 2013 - 17:28:40 PDT)
Hongyi WU
[AMBER] 答复: 答复: 答复: 答复: 答复: timecorr
(Tue Jul 30 2013 - 20:44:23 PDT)
[AMBER] 答复: 答复: 答复: 答复: timecorr
(Sun Jul 28 2013 - 01:42:59 PDT)
[AMBER] 答复: 答复: 答复: timecorr
(Fri Jul 26 2013 - 07:53:41 PDT)
[AMBER] 答复: 答复: timecorr
(Sat Jul 20 2013 - 19:54:35 PDT)
[AMBER] 答复: 答复: timecorr
(Sat Jul 20 2013 - 19:51:19 PDT)
[AMBER] 答复: timecorr
(Tue Jul 09 2013 - 05:34:45 PDT)
[AMBER] timecorr
(Mon Jul 08 2013 - 22:19:35 PDT)
Hunter Brown
Re: [AMBER] MMPBSA.py
(Fri Jul 26 2013 - 07:39:18 PDT)
Re: [AMBER] ptraj, outprefix not giving a stripped prmtop
(Tue Jul 23 2013 - 14:04:15 PDT)
[AMBER] ptraj, outprefix not giving a stripped prmtop
(Tue Jul 23 2013 - 13:40:28 PDT)
[AMBER] Antechamber problem with sqm
(Mon Jul 15 2013 - 09:59:35 PDT)
Re: [AMBER] Troubles with making a movie in VMD,
(Tue Jul 09 2013 - 12:34:53 PDT)
[AMBER] Troubles with making a movie in VMD,
(Tue Jul 09 2013 - 12:23:37 PDT)
[AMBER] Units of summary files produced by process_mdout.perl
(Mon Jul 08 2013 - 15:13:39 PDT)
Re: [AMBER] Fixing pdb files prepared in VMD, minor errors
(Tue Jul 02 2013 - 08:50:46 PDT)
[AMBER] VMD prepared errors (precise error messages)
(Mon Jul 01 2013 - 12:55:33 PDT)
[AMBER] Fixing pdb files prepared in VMD, minor errors
(Mon Jul 01 2013 - 10:43:13 PDT)
Ibrahim Said
[AMBER] instablity of ligand during minimization
(Tue Jul 09 2013 - 13:09:15 PDT)
iqtcub
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Mon Jul 15 2013 - 00:08:59 PDT)
[AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 00:35:47 PDT)
James W. Snyder, Jr.
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:51:20 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:40:05 PDT)
[AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 20:35:42 PDT)
Jan-Philip Gehrcke
[AMBER] MMPBSA.py decomposition CSV output -- proposal for improvement
(Tue Jul 23 2013 - 08:31:51 PDT)
Re: [AMBER] online server of amber
(Fri Jul 19 2013 - 02:02:07 PDT)
Re: [AMBER] amber12's performance on AMD
(Thu Jul 18 2013 - 15:13:26 PDT)
Re: [AMBER] Message to AMBER GeForce GPU Users
(Tue Jul 16 2013 - 14:52:19 PDT)
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 03:09:43 PDT)
Re: [AMBER] AMBER GPU Job Write Fails
(Wed Jul 10 2013 - 06:58:38 PDT)
Re: [AMBER] AMBER GPU Job Write Fails
(Tue Jul 09 2013 - 10:31:05 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 07:40:13 PDT)
Jason Swails
Re: [AMBER] Distance based mask for qmmask
(Wed Jul 31 2013 - 20:21:41 PDT)
Re: [AMBER] Fw: Re: MMPBSA problem
(Wed Jul 31 2013 - 20:20:50 PDT)
Re: [AMBER] Problems with NAB
(Wed Jul 31 2013 - 20:13:33 PDT)
Re: [AMBER] Estimate error for TI calculations
(Wed Jul 31 2013 - 20:12:33 PDT)
Re: [AMBER] Estimate error for TI calculations
(Wed Jul 31 2013 - 10:21:34 PDT)
Re: [AMBER] Checking Sander energy values
(Wed Jul 31 2013 - 05:41:53 PDT)
Re: [AMBER] mmpbsa nonpolar contribution using stability calculations
(Wed Jul 31 2013 - 05:21:06 PDT)
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:30:01 PDT)
Re: [AMBER] sander option "-radii"
(Tue Jul 30 2013 - 20:26:52 PDT)
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:15:05 PDT)
Re: [AMBER] mdread MMPBSA
(Tue Jul 30 2013 - 04:43:09 PDT)
Re: [AMBER] Interaction energy-based residue-residue correlation matrix
(Mon Jul 29 2013 - 09:35:09 PDT)
Re: [AMBER] isothermal compressibility
(Sun Jul 28 2013 - 21:02:38 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 16:38:32 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 13:34:19 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 09:00:42 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Sun Jul 28 2013 - 06:16:56 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Sun Jul 28 2013 - 06:15:23 PDT)
Re: [AMBER] Problem regarding the cuda installation using NetCFD.
(Fri Jul 26 2013 - 17:36:34 PDT)
Re: [AMBER] MMPBSA.py
(Fri Jul 26 2013 - 12:36:30 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Fri Jul 26 2013 - 12:34:58 PDT)
Re: [AMBER] validation of MMPBSA results
(Fri Jul 26 2013 - 12:29:07 PDT)
Re: [AMBER] Error while umbrella sampling with distance restraint
(Fri Jul 26 2013 - 12:13:00 PDT)
Re: [AMBER] Error while umbrella sampling with distance restraint
(Fri Jul 26 2013 - 05:15:20 PDT)
Re: [AMBER] Explicit vs Implicit solvent for REMD
(Thu Jul 25 2013 - 09:17:36 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Wed Jul 24 2013 - 05:16:25 PDT)
Re: [AMBER] extraction of specific region of the trajectory file using ptraj
(Wed Jul 24 2013 - 05:13:19 PDT)
Re: [AMBER] MMPBSA.py problem on G gas
(Tue Jul 23 2013 - 17:08:17 PDT)
Re: [AMBER] ptraj, outprefix not giving a stripped prmtop
(Tue Jul 23 2013 - 13:58:12 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 10:03:44 PDT)
Re: [AMBER] MMPBSA.py decomposition CSV output -- proposal for improvement
(Tue Jul 23 2013 - 09:51:59 PDT)
Re: [AMBER] mmpbsa input parameters
(Tue Jul 23 2013 - 07:49:13 PDT)
Re: [AMBER] Entropy calculation error
(Tue Jul 23 2013 - 07:38:31 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 07:30:17 PDT)
Re: [AMBER] MMPBSA Alanine scan terminal residues
(Tue Jul 23 2013 - 05:23:25 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Tue Jul 23 2013 - 04:12:09 PDT)
Re: [AMBER] plane-plane angle restraint
(Mon Jul 22 2013 - 16:37:24 PDT)
Re: [AMBER] How to modify the formula for non-bonded interactions
(Mon Jul 22 2013 - 11:55:08 PDT)
Re: [AMBER] Parmed.py deletedihedral
(Mon Jul 22 2013 - 11:33:43 PDT)
Re: [AMBER] Multiple Trajectory MMPBSA
(Fri Jul 19 2013 - 14:46:34 PDT)
Re: [AMBER] online server of amber
(Thu Jul 18 2013 - 16:32:12 PDT)
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 21:23:28 PDT)
Re: [AMBER] How to add metal ions?
(Wed Jul 17 2013 - 06:49:17 PDT)
Re: [AMBER] MMPBSA.py problem
(Wed Jul 17 2013 - 05:28:09 PDT)
Re: [AMBER] Processing of output files using process_mdout.perl
(Wed Jul 17 2013 - 05:20:30 PDT)
Re: [AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 13:45:58 PDT)
Re: [AMBER] speed of amber12
(Mon Jul 15 2013 - 13:19:35 PDT)
Re: [AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 11:06:42 PDT)
Re: [AMBER] unsupported GNU version! gcc 4.7 and up are not supported
(Mon Jul 15 2013 - 06:45:57 PDT)
Re: [AMBER] aMD tutorial
(Sun Jul 14 2013 - 20:50:04 PDT)
Re: [AMBER] speed of amber12
(Sun Jul 14 2013 - 20:47:05 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Fri Jul 12 2013 - 09:45:05 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 07:21:14 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 06:45:53 PDT)
Re: [AMBER] Problem related to the umbrella sampling
(Thu Jul 11 2013 - 21:37:29 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 21:26:03 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 20:48:18 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 20:33:24 PDT)
Re: [AMBER] CUDA MPI compilation issue
(Thu Jul 11 2013 - 20:26:12 PDT)
Re: [AMBER] Reference for TI derivation
(Thu Jul 11 2013 - 20:19:25 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 20:04:32 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 18:15:02 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 18:06:00 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 17:46:07 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 14:32:34 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 12:27:51 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 11:51:36 PDT)
Re: [AMBER] Problem related to the umbrella sampling
(Thu Jul 11 2013 - 10:22:03 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Thu Jul 11 2013 - 09:52:57 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Thu Jul 11 2013 - 05:53:16 PDT)
Re: [AMBER] Is it possible to do constant pH simulations by titrating the basic residues as well?
(Thu Jul 11 2013 - 05:46:57 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Wed Jul 10 2013 - 21:44:22 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Wed Jul 10 2013 - 16:41:12 PDT)
Re: [AMBER] Re-Imaging Trajectories
(Tue Jul 09 2013 - 20:06:07 PDT)
Re: [AMBER] update Ambertools 12 to 13 fails
(Tue Jul 09 2013 - 11:11:56 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 07:06:06 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 05:45:06 PDT)
Re: [AMBER] different results by sander and sander.MPI
(Tue Jul 09 2013 - 05:38:40 PDT)
Re: [AMBER] Negative Pressure During Equilibrium
(Tue Jul 09 2013 - 05:20:47 PDT)
Re: [AMBER] Units of summary files produced by process_mdout.perl
(Mon Jul 08 2013 - 15:36:36 PDT)
Re: [AMBER] fix_traj_parm.py problems
(Mon Jul 08 2013 - 13:21:06 PDT)
Re: [AMBER] update Ambertools 12 to 13 fails
(Sat Jul 06 2013 - 14:28:45 PDT)
Re: [AMBER] Crystallization of K+ Cl- ions during the protein+lipid bilayer simulation
(Fri Jul 05 2013 - 21:10:22 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 21:07:13 PDT)
Re: [AMBER] Crystallization of K+ Cl- ions during the protein+lipid bilayer simulation
(Fri Jul 05 2013 - 18:42:54 PDT)
Re: [AMBER] A General Question with regards to the NVT & NPT ensembles in MD Simulations
(Fri Jul 05 2013 - 18:23:58 PDT)
Re: [AMBER] installing Amber 11 and Amber tools 1.5
(Fri Jul 05 2013 - 18:14:38 PDT)
Re: [AMBER] Is it possible to run accelerated MD with amber10?
(Fri Jul 05 2013 - 18:12:13 PDT)
Re: [AMBER] compilation error: /usr/bin/ld: cannot find -lStatistics
(Fri Jul 05 2013 - 14:52:41 PDT)
Re: [AMBER] Amber 12 installation on OSX
(Fri Jul 05 2013 - 14:17:36 PDT)
Re: [AMBER] about run REMD(replica exchange molecular dynamic)
(Fri Jul 05 2013 - 11:20:22 PDT)
Re: [AMBER] mmPBSA.py: mmGBSA and solute dielectric constant
(Thu Jul 04 2013 - 14:09:44 PDT)
Re: [AMBER] Abnormal simulation in the sulfonic acid group.
(Thu Jul 04 2013 - 07:42:09 PDT)
Re: [AMBER] Custom Heme Parameters
(Thu Jul 04 2013 - 07:37:21 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 07:34:44 PDT)
Re: [AMBER] about run REMD(replica exchange molecular dynamic)
(Thu Jul 04 2013 - 07:20:00 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 06:54:00 PDT)
Re: [AMBER] MMPBSA.MPI:IndexError: list index out of range
(Wed Jul 03 2013 - 06:27:34 PDT)
Re: [AMBER] MMPBSA.MPI:IndexError: list index out of range
(Wed Jul 03 2013 - 06:26:38 PDT)
Re: [AMBER] AMBER atom types in parm10.dat don't match antechamber
(Wed Jul 03 2013 - 02:43:19 PDT)
Re: [AMBER] About cntrl error...please help..
(Tue Jul 02 2013 - 03:55:35 PDT)
Re: [AMBER] MMPBSA.py.MPI run issues
(Tue Jul 02 2013 - 03:52:42 PDT)
Re: [AMBER] MMPBSA.py.MPI run issues
(Mon Jul 01 2013 - 15:30:04 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Mon Jul 01 2013 - 08:15:14 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Mon Jul 01 2013 - 03:19:44 PDT)
Jean-Paul Becker
Re: [AMBER] Problem with increasing values in limits.h for resp
(Tue Jul 23 2013 - 01:46:40 PDT)
Re: [AMBER] Problem with increasing values in limits.h for resp
(Mon Jul 22 2013 - 00:38:23 PDT)
Jerome EBERHARDT
[AMBER] aMD tutorial
(Wed Jul 10 2013 - 02:14:03 PDT)
Jinqiang
[AMBER] MCPB
(Thu Jul 11 2013 - 08:54:06 PDT)
Jio M
[AMBER] improper dihedral with gaff
(Thu Jul 18 2013 - 03:18:04 PDT)
John Travers
Re: [AMBER] problem on heating with restraints on the solute
(Mon Jul 22 2013 - 11:53:25 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Mon Jul 22 2013 - 06:47:49 PDT)
Re: [AMBER] problem on heating with restraints on the solute
(Sun Jul 21 2013 - 16:27:01 PDT)
[AMBER] problem on heating with restraints on the solute
(Sat Jul 20 2013 - 13:21:58 PDT)
[AMBER] different results by sander and sander.MPI
(Mon Jul 08 2013 - 21:06:04 PDT)
Jonathan Saboury
[AMBER] using acpype with AMBER13 Error: /bin/sh: 1: -i: not found
(Sat Jul 20 2013 - 17:42:04 PDT)
Jorgen Simonsen
Re: [AMBER] speed of amber12
(Mon Jul 15 2013 - 11:40:31 PDT)
[AMBER] speed of amber12
(Sun Jul 14 2013 - 15:54:08 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Fri Jul 12 2013 - 09:03:04 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 18:17:16 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 18:00:57 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 14:41:01 PDT)
Re: [AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 14:05:43 PDT)
[AMBER] compilation of amber12 on cray system
(Thu Jul 11 2013 - 12:07:00 PDT)
Jose Borreguero
[AMBER] "Incomplete Improper Torsion line" error
(Wed Jul 10 2013 - 14:51:37 PDT)
Josep Maria Campanera Alsina
[AMBER] plane-plane angle restraint
(Mon Jul 22 2013 - 11:55:35 PDT)
Junmei Wang
Re: [AMBER] antechamber issues
(Tue Jul 23 2013 - 11:59:01 PDT)
Re: [AMBER] antechamber issues
(Thu Jul 18 2013 - 09:55:24 PDT)
K. Suzie Byun
[AMBER] amber on-line server
(Thu Jul 18 2013 - 15:48:27 PDT)
[AMBER] online server of amber
(Thu Jul 18 2013 - 15:37:02 PDT)
Kamali Sripathi
Re: [AMBER] Methods for RESP charge generation
(Mon Jul 29 2013 - 10:33:32 PDT)
[AMBER] Methods for RESP charge generation
(Sun Jul 28 2013 - 09:05:02 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Fri Jul 26 2013 - 04:36:13 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Thu Jul 25 2013 - 08:29:52 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sun Jul 21 2013 - 20:01:44 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sat Jul 20 2013 - 05:57:41 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Fri Jul 19 2013 - 12:20:44 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sat Jul 13 2013 - 11:14:09 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Tue Jul 09 2013 - 12:21:47 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Sat Jul 06 2013 - 06:03:51 PDT)
Re: [AMBER] Antechamber atom types and all_nuc94.in atom descriptions
(Wed Jul 03 2013 - 11:22:07 PDT)
Kanin Wichapong
[AMBER] unsupported GNU version! gcc 4.7 and up are not supported
(Mon Jul 15 2013 - 04:50:34 PDT)
[AMBER] quality membrane protein
(Fri Jul 05 2013 - 13:57:28 PDT)
[AMBER] repeat amber run on cuda
(Fri Jul 05 2013 - 13:35:23 PDT)
Karl N. Kirschner
Re: [AMBER] Amber force field for Benzene sulfonamide.
(Fri Jul 26 2013 - 04:22:36 PDT)
Re: [AMBER] the question about the atom type of my molecule
(Mon Jul 22 2013 - 02:03:42 PDT)
Re: [AMBER] minimization codes
(Mon Jul 22 2013 - 01:20:53 PDT)
Re: [AMBER] Resp fiiting method and theory
(Wed Jul 17 2013 - 01:18:29 PDT)
Re: [AMBER] Residue chirality
(Mon Jul 15 2013 - 02:12:03 PDT)
Re: [AMBER] Residue chirality
(Thu Jul 11 2013 - 08:51:33 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 08:27:48 PDT)
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 02:21:58 PDT)
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Tue Jul 09 2013 - 00:18:29 PDT)
Re: [AMBER] atom type for N bond to conjugated chain using antechamber
(Fri Jul 05 2013 - 00:34:28 PDT)
Re: [AMBER] Abnormal simulation in the sulfonic acid group.
(Thu Jul 04 2013 - 07:58:43 PDT)
Re: [AMBER] Abnormal simulation in the sulfonic acid group.
(Thu Jul 04 2013 - 02:41:23 PDT)
Kepa K. Burusco
[AMBER] TI with ifsc==2
(Thu Jul 25 2013 - 09:24:32 PDT)
kirtana S
[AMBER] isothermal compressibility
(Sun Jul 28 2013 - 13:29:38 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 19:57:52 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 19:21:39 PDT)
Re: [AMBER] constant pressure simulation
(Fri Jul 05 2013 - 11:05:00 PDT)
[AMBER] constant pressure simulation
(Thu Jul 04 2013 - 23:31:06 PDT)
Krisztina Feher
Re: [AMBER] Residue chirality
(Tue Jul 16 2013 - 13:20:33 PDT)
Re: [AMBER] Residue chirality
(Sun Jul 14 2013 - 00:50:17 PDT)
Kshatresh Dutta Dubey
Re: [AMBER] Interaction energy-based residue-residue correlation matrix
(Sun Jul 28 2013 - 23:22:43 PDT)
Kumar Sonu
Re: [AMBER] Estimate error for TI calculations
(Wed Jul 31 2013 - 14:43:11 PDT)
[AMBER] Estimate error for TI calculations
(Wed Jul 31 2013 - 10:07:47 PDT)
kurisaki
[AMBER] Active site focusing in using "pbsa"
(Mon Jul 08 2013 - 06:26:38 PDT)
[AMBER] Active site focusing in using "pbsa"
(Fri Jul 05 2013 - 22:21:03 PDT)
Re: [AMBER] Anomalous peak of RDF of water when using ptraj of AmberTools12
(Mon Jul 01 2013 - 18:26:12 PDT)
[AMBER] Anomalous peak of RDF of water when using ptraj of AmberTools12
(Mon Jul 01 2013 - 02:51:20 PDT)
Levi Pierce
Re: [AMBER] Error while umbrella sampling with distance restraint
(Thu Jul 25 2013 - 20:19:19 PDT)
loue chen
[AMBER] Amber force field for Benzene sulfonamide.
(Thu Jul 25 2013 - 10:04:59 PDT)
lujing8556
[AMBER] the question about the atom type of my molecule
(Mon Jul 22 2013 - 01:12:33 PDT)
lujing8556
Re: [AMBER] the question about the atom type of my molecule
(Mon Jul 22 2013 - 04:05:27 PDT)
M. L. Dodson
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 16:36:29 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 14:37:48 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 13:26:58 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 12:52:16 PDT)
Re: [AMBER] Creating a new Solvatebox
(Tue Jul 23 2013 - 12:45:18 PDT)
Mahendra B Thapa
[AMBER] Exclude H-atom from bfactor calculation
(Tue Jul 02 2013 - 13:02:30 PDT)
Manikanthan Bhavaraju
[AMBER] Reference for TI derivation
(Thu Jul 11 2013 - 19:04:36 PDT)
Re: [AMBER] Crystallization of K+ Cl- ions during the protein+lipid bilayer simulation
(Fri Jul 05 2013 - 19:26:29 PDT)
[AMBER] Crystallization of K+ Cl- ions during the protein+lipid bilayer simulation
(Fri Jul 05 2013 - 17:20:06 PDT)
Manish Paul
[AMBER] simulating Modified residue of Cysteine attached to mercury
(Tue Jul 23 2013 - 19:48:21 PDT)
Marc van der Kamp
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 03:25:46 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 07:35:17 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 06:53:47 PDT)
[AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 05:37:52 PDT)
Marek Maly
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 15:18:16 PDT)
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 13:17:22 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 09:53:25 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 09:16:49 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Mon Jul 08 2013 - 08:01:24 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Mon Jul 08 2013 - 05:43:57 PDT)
Re: [AMBER] OT? several gcc/CentOS-6 (Re: DihedralSearch.cpp:53: error: unknown escape sequence) '\*'
(Fri Jul 05 2013 - 09:43:41 PDT)
Re: [AMBER] simulating complexes
(Thu Jul 04 2013 - 08:52:42 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 07:47:03 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Thu Jul 04 2013 - 06:56:27 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Thu Jul 04 2013 - 02:42:39 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Wed Jul 03 2013 - 12:18:41 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Wed Jul 03 2013 - 11:24:56 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 11:18:03 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:39:56 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 08:55:51 PDT)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
(Mon Jul 01 2013 - 15:48:37 PDT)
Re: [AMBER] The recommended way to create periodic box around lipid bilayer system ?
(Mon Jul 01 2013 - 11:26:11 PDT)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ?
(Mon Jul 01 2013 - 07:55:10 PDT)
[AMBER] The recommended way to create periodic box around lipid bilayer system ?
(Mon Jul 01 2013 - 07:20:54 PDT)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ?
(Mon Jul 01 2013 - 03:44:50 PDT)
MARK
[AMBER] Message to AMBER GeForce GPU Users
(Tue Jul 16 2013 - 13:04:45 PDT)
Mark Zottola
[AMBER] Modified Nucleic Acid
(Tue Jul 23 2013 - 08:18:01 PDT)
Mary Varughese
Re: [AMBER] mmpbsa input parameters
(Tue Jul 23 2013 - 21:50:32 PDT)
[AMBER] mmpbsa input parameters
(Tue Jul 23 2013 - 00:21:59 PDT)
Re: [AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 21:56:22 PDT)
Re: [AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 21:47:08 PDT)
Re: [AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 19:01:49 PDT)
[AMBER] MD simulation parameters: urgent please
(Mon Jul 01 2013 - 09:57:29 PDT)
Massimiliano Porrini
Re: [AMBER] Amber11 bugfixes 19, 20 and 22 failed
(Wed Jul 31 2013 - 00:54:16 PDT)
[AMBER] Amber11 bugfixes 19, 20 and 22 failed
(Thu Jul 25 2013 - 07:55:25 PDT)
me, Nancy
[AMBER] read trajectory using ambertools
(Mon Jul 15 2013 - 20:40:17 PDT)
Meekyum Olivia Kim
Re: [AMBER] Error while umbrella sampling with distance restraint
(Fri Jul 26 2013 - 09:36:35 PDT)
[AMBER] Error while umbrella sampling with distance restraint
(Thu Jul 25 2013 - 14:08:11 PDT)
[AMBER] Error while umbrella sampling with distance restraint
(Thu Jul 25 2013 - 11:45:56 PDT)
Michael Lerner
Re: [AMBER] GTX780
(Mon Jul 01 2013 - 10:41:21 PDT)
mina madah
[AMBER] xlf Command not found
(Sat Jul 06 2013 - 03:50:05 PDT)
mmaestre.gate.sinica.edu.tw
[AMBER] Fwd: Re: Copper parametrization for a laccase center
(Tue Jul 09 2013 - 00:30:54 PDT)
Re: [AMBER] Copper parametrization for a laccase center
(Sat Jul 06 2013 - 09:26:47 PDT)
[AMBER] Copper parametrization for a laccase center
(Wed Jul 03 2013 - 21:57:47 PDT)
mohit mazumder
[AMBER] DNA Phosphate error
(Fri Jul 26 2013 - 23:36:17 PDT)
Mona Minkara
Re: [AMBER] AMBER GPU Job Write Fails
(Wed Jul 10 2013 - 08:57:51 PDT)
[AMBER] AMBER GPU Job Write Fails
(Tue Jul 09 2013 - 09:42:13 PDT)
Morteza Chehel Amirani
[AMBER] Resp charges for large number of atoms in an ONIOM calculation
(Mon Jul 15 2013 - 15:52:22 PDT)
Muthukumaran R
[AMBER] installing Amber 11 and Amber tools 1.5
(Thu Jul 04 2013 - 21:06:25 PDT)
Neha Gandhi
[AMBER] differences between amber ff10 and ff12SB
(Mon Jul 08 2013 - 05:15:13 PDT)
onetwo
Re: [AMBER] stopping simulation in between
(Tue Jul 02 2013 - 08:27:09 PDT)
[AMBER] stopping simulation in between
(Tue Jul 02 2013 - 06:22:29 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Tue Jul 02 2013 - 00:38:02 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Mon Jul 01 2013 - 06:38:37 PDT)
Re: [AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Mon Jul 01 2013 - 04:54:33 PDT)
[AMBER] error in running MMPBSA.MPI , mmpbsa_py_energy could not be found
(Sun Jun 30 2013 - 23:17:49 PDT)
Parker de Waal
Re: [AMBER] Explicit vs Implicit solvent for REMD
(Fri Jul 26 2013 - 07:30:56 PDT)
[AMBER] Explicit vs Implicit solvent for REMD
(Thu Jul 25 2013 - 06:03:14 PDT)
Re: [AMBER] pmemd.cuda.MPI NPT Issues
(Thu Jul 18 2013 - 10:23:28 PDT)
Re: [AMBER] pmemd.cuda.MPI NPT Issues
(Wed Jul 17 2013 - 12:28:36 PDT)
[AMBER] pmemd.cuda.MPI NPT Issues
(Wed Jul 17 2013 - 10:45:23 PDT)
Re: [AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 15:59:49 PDT)
Re: [AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 11:23:07 PDT)
[AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 08:52:47 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Fri Jul 12 2013 - 10:02:50 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 19:43:21 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 09:04:09 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 08:31:55 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Thu Jul 11 2013 - 06:36:57 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 18:22:21 PDT)
Re: [AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 17:54:26 PDT)
[AMBER] First to Second Frame Position Jump
(Wed Jul 10 2013 - 16:45:15 PDT)
Re: [AMBER] Re-Imaging Trajectories
(Wed Jul 10 2013 - 16:36:22 PDT)
[AMBER] Re-Imaging Trajectories
(Tue Jul 09 2013 - 19:07:51 PDT)
Re: [AMBER] Negative Pressure During Equilibrium
(Tue Jul 09 2013 - 12:53:35 PDT)
Re: [AMBER] Negative Pressure During Equilibrium
(Tue Jul 09 2013 - 04:38:53 PDT)
[AMBER] Negative Pressure During Equilibrium
(Mon Jul 08 2013 - 17:25:28 PDT)
Re: [AMBER] pmemd.cuda Energy Minimization Slow
(Sun Jul 07 2013 - 08:08:42 PDT)
[AMBER] pmemd.cuda Energy Minimization Slow
(Sat Jul 06 2013 - 22:04:49 PDT)
Re: [AMBER] Custom Heme Parameters
(Wed Jul 03 2013 - 11:10:10 PDT)
[AMBER] Custom Heme Parameters
(Tue Jul 02 2013 - 19:58:12 PDT)
Pavan G
Re: [AMBER] PCA Contributions
(Fri Jul 26 2013 - 05:16:10 PDT)
Re: [AMBER] PCA Contributions
(Thu Jul 25 2013 - 15:49:46 PDT)
[AMBER] PCA Contributions
(Thu Jul 25 2013 - 13:20:55 PDT)
Pengzhi Zhang
[AMBER] How to modify the formula for non-bonded interactions
(Mon Jul 22 2013 - 11:17:51 PDT)
psu4.uic.edu
[AMBER] TI solvated ligand simulation "vlimit exceeded for step"
(Thu Jul 04 2013 - 15:59:49 PDT)
Puspita Halder
[AMBER] extraction of specific region of the trajectory file using ptraj
(Tue Jul 23 2013 - 23:38:21 PDT)
rajeevy.iitk.ac.in
Re: [AMBER] solvent accessible surface area (SASA)
(Sat Jul 13 2013 - 08:31:43 PDT)
[AMBER] solvent accessible surface area (SASA)
(Fri Jul 12 2013 - 23:25:28 PDT)
Rasha Alqus
[AMBER] xleap, unit connectivity and atom name
(Wed Jul 17 2013 - 01:26:15 PDT)
Ray Luo
Re: [AMBER] mmpbsa nonpolar contribution using stability calculations
(Mon Jul 29 2013 - 19:18:45 PDT)
Re: [AMBER] mmpbsa input parameters
(Wed Jul 24 2013 - 00:31:53 PDT)
Ray Luo, Ph.D.
Re: [AMBER] mmpbsa nonpolar contribution using stability calculations
(Wed Jul 31 2013 - 02:49:24 PDT)
Re: [AMBER] mmpbsa input parameters
(Tue Jul 23 2013 - 18:59:26 PDT)
Re: [AMBER] SA Bomb in sa_arc()3 error
(Mon Jul 08 2013 - 19:05:43 PDT)
Re: [AMBER] SA Bomb in sa_arc()3 error
(Mon Jul 08 2013 - 10:23:29 PDT)
Rejwan
[AMBER] viewing PREPIN/PREPC files
(Mon Jul 01 2013 - 12:38:37 PDT)
Robert McGibbon
[AMBER] ANN: mdtraj 0.3 released
(Mon Jul 01 2013 - 00:42:50 PDT)
Robert Wohlhueter
Re: [AMBER] update Ambertools 12 to 13 fails
(Mon Jul 08 2013 - 08:46:44 PDT)
[AMBER] update Ambertools 12 to 13 fails
(Sat Jul 06 2013 - 14:08:46 PDT)
Romelia Salomon
Re: [AMBER] How to run aMD with amber?
(Mon Jul 08 2013 - 16:55:59 PDT)
Ross Walker
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:53:45 PDT)
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:42:13 PDT)
Re: [AMBER] Distance based mask for qmmask
(Tue Jul 30 2013 - 20:22:42 PDT)
Re: [AMBER] Amber11 bugfixes 19, 20 and 22 failed
(Tue Jul 30 2013 - 19:58:50 PDT)
Re: [AMBER] online server of amber
(Fri Jul 19 2013 - 05:46:20 PDT)
Re: [AMBER] amber12's performance on AMD
(Thu Jul 18 2013 - 14:48:22 PDT)
Re: [AMBER-Developers] Amber Workshop in Brazil
(Thu Jul 18 2013 - 06:17:15 PDT)
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 14:53:46 PDT)
Re: [AMBER] pmemd.cuda.MPI NPT Issues
(Wed Jul 17 2013 - 13:12:32 PDT)
Re: [AMBER] pmemd.cuda.MPI NPT Issues
(Wed Jul 17 2013 - 11:29:44 PDT)
Re: [AMBER] speed of amber12
(Sun Jul 14 2013 - 17:21:22 PDT)
[AMBER] GTX-770
(Sat Jul 13 2013 - 17:54:05 PDT)
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 22:28:33 PDT)
[AMBER] GTX780s
(Fri Jul 12 2013 - 08:53:56 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 21:01:15 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 20:57:27 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 20:24:56 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 19:48:53 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 11:47:34 PDT)
Re: [AMBER] AMBER GPU Job Write Fails
(Tue Jul 09 2013 - 12:57:34 PDT)
Re: [AMBER] AMBER GPU Job Write Fails
(Tue Jul 09 2013 - 11:48:55 PDT)
Re: [AMBER] How to run aMD with amber?
(Tue Jul 09 2013 - 01:09:47 PDT)
Re: [AMBER] TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
(Mon Jul 08 2013 - 23:21:15 PDT)
Re: [AMBER] different results by sander and sander.MPI
(Mon Jul 08 2013 - 22:51:18 PDT)
Re: [AMBER] Units of summary files produced by process_mdout.perl
(Mon Jul 08 2013 - 15:21:27 PDT)
Re: [AMBER] pmemd.cuda Energy Minimization Slow
(Sat Jul 06 2013 - 23:17:52 PDT)
Re: [AMBER] repeat amber run on cuda
(Fri Jul 05 2013 - 13:58:07 PDT)
[AMBER] GTX780 Update
(Wed Jul 03 2013 - 10:57:55 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:42:52 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:00:44 PDT)
Re: [AMBER] About cntrl error...please help..
(Mon Jul 01 2013 - 22:20:33 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:58:50 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:43:06 PDT)
Re: [AMBER] &ewald skinnb=2.0d0 /
(Mon Jul 01 2013 - 21:40:07 PDT)
Re: [AMBER] NVE Energy/Temperature Drift Issue
(Mon Jul 01 2013 - 21:10:48 PDT)
Re: [AMBER] GTX780
(Mon Jul 01 2013 - 10:46:00 PDT)
Re: [AMBER] experiences with EVGA GTX TITAN Superclocked - memtestG80 - UNDERclocking in Linux ?
(Mon Jul 01 2013 - 08:03:54 PDT)
Ryan Pavlovicz
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Mon Jul 29 2013 - 20:46:05 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Sat Jul 27 2013 - 15:19:09 PDT)
Re: [AMBER] MMPBSA.py decomp, -deo, PB only problem
(Sat Jul 27 2013 - 08:26:59 PDT)
[AMBER] MMPBSA.py decomp, -deo, PB only problem
(Fri Jul 26 2013 - 08:29:34 PDT)
Sangeetha B
[AMBER] Amber11 AmberTools1.5 installation problem
(Tue Jul 02 2013 - 08:33:06 PDT)
Sangita Kachhap
[AMBER] Line minimizer aborted: step at lower bound
(Tue Jul 02 2013 - 22:48:37 PDT)
Scott Le Grand
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 16:28:03 PDT)
Re: [AMBER] cudaMemcpy GpuBuffer::Download failed unspecified launch failure
(Wed Jul 17 2013 - 16:19:42 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 09:49:39 PDT)
Re: [AMBER] GTX780 News
(Thu Jul 11 2013 - 09:47:54 PDT)
Re: [AMBER] Wrong results in GTX TITAN, correct results on GTX580
(Thu Jul 11 2013 - 06:56:12 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 12:33:09 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:13:45 PDT)
Re: [AMBER] &ewald skinnb=2.0d0 /
(Mon Jul 01 2013 - 20:16:22 PDT)
Sergio R Aragon
Re: [AMBER] espgen and G09
(Thu Jul 11 2013 - 09:20:43 PDT)
Re: [AMBER] espgen and G09
(Thu Jul 11 2013 - 08:19:06 PDT)
Shashidhar Rao
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 14:50:08 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 12:56:05 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 06:19:04 PDT)
Re: [AMBER] MMPBSA.py
(Sun Jul 28 2013 - 06:17:16 PDT)
[AMBER] MMPBSA.py
(Thu Jul 25 2013 - 19:49:05 PDT)
siddharth kesharwani
Re: [AMBER] MMPBSA.py
(Fri Jul 26 2013 - 07:41:09 PDT)
Re: [AMBER] bad atom type: cl MMPBSA.py
(Wed Jul 24 2013 - 09:01:15 PDT)
Sindrila Dutta banik
Re: [AMBER] Problem related to the umbrella sampling
(Thu Jul 11 2013 - 21:23:22 PDT)
Re: [AMBER] Problem related to the umbrella sampling
(Thu Jul 11 2013 - 11:27:27 PDT)
[AMBER] Problem related to the umbrella sampling
(Wed Jul 10 2013 - 21:44:35 PDT)
[AMBER] Problem related to the WHAM analysis
(Wed Jul 03 2013 - 03:58:58 PDT)
[AMBER] How to define NO SHAKE
(Tue Jul 02 2013 - 05:28:58 PDT)
[AMBER] How to define reaction coordinate in Umbrella sampeling
(Mon Jul 01 2013 - 04:42:59 PDT)
Soonmin Jang
[AMBER] sander option "-radii"
(Tue Jul 30 2013 - 06:14:08 PDT)
sribone.fcq.unc.edu.ar
Re: [AMBER] bad atom type: cl MMPBSA.py
(Wed Jul 24 2013 - 10:28:34 PDT)
[AMBER] bad atom type: cl MMPBSA.py
(Wed Jul 24 2013 - 08:57:26 PDT)
Su, Shiquan
Re: [AMBER] compilation error: /usr/bin/ld: cannot find -lStatistics
(Fri Jul 05 2013 - 17:12:38 PDT)
[AMBER] compilation error: /usr/bin/ld: cannot find -lStatistics
(Fri Jul 05 2013 - 14:42:00 PDT)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
Re: [AMBER] Segmentation Error
(Tue Jul 30 2013 - 08:35:49 PDT)
Re: [AMBER] Segmentation Error
(Fri Jul 26 2013 - 08:44:58 PDT)
[AMBER] Segmentation Error
(Thu Jul 25 2013 - 23:01:16 PDT)
sunyeping.aliyun.com
[AMBER] bond command
(Sat Jul 27 2013 - 21:12:14 PDT)
[AMBER] can thermodynamics integration be used for calculating binding free energy of peptides and proteins?
(Sat Jul 27 2013 - 09:24:35 PDT)
[AMBER] RE：Re: Re?Re: FATAL: Atom XXX does not have a type
(Fri Jul 05 2013 - 11:05:56 PDT)
[AMBER] Re：Re: FATAL: Atom XXX does not have a type
(Thu Jul 04 2013 - 05:20:03 PDT)
[AMBER] 回复：Re: ???Re: FATAL: Atom XXX does not have a type
(Wed Jul 03 2013 - 20:03:37 PDT)
[AMBER] re
(Tue Jul 02 2013 - 18:26:14 PDT)
[AMBER] Re：Re: ???Re: FATAL: Atom XXX does not have a type
(Tue Jul 02 2013 - 06:37:53 PDT)
Suri Moonsamy
[AMBER] setting up non-standard amino acid residues for MD simulation
(Tue Jul 23 2013 - 03:17:36 PDT)
svrci
Re: [AMBER] Problems with NAB
(Wed Jul 24 2013 - 01:19:24 PDT)
Tanmoy Paul
Re: [AMBER] Asking suggestion
(Mon Jul 22 2013 - 21:24:44 PDT)
[AMBER] Asking suggestion
(Fri Jul 19 2013 - 22:02:05 PDT)
tdo.chem.ucsb.edu
Re: [AMBER] Residue chirality
(Tue Jul 09 2013 - 08:25:54 PDT)
[AMBER] Residue chirality
(Tue Jul 09 2013 - 02:07:58 PDT)
tec3.utah.edu
Re: [AMBER] GTX780s
(Fri Jul 12 2013 - 13:50:55 PDT)
Thomas Cheatham
Re: [AMBER] Ptraj B Factor PDB
(Mon Jul 15 2013 - 14:08:38 PDT)
Re: [AMBER] Error: Atom type amber99_42 (residue HOH) not found in atomtype database
(Fri Jul 05 2013 - 14:02:47 PDT)
Tianchi Chen
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Tue Jul 09 2013 - 11:05:06 PDT)
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Tue Jul 09 2013 - 09:46:20 PDT)
Re: [AMBER] question about hydroxyproline and new atom type'OO'
(Tue Jul 09 2013 - 09:42:40 PDT)
[AMBER] question about hydroxyproline and new atom type'OO'
(Mon Jul 08 2013 - 12:47:51 PDT)
tianchuan1015
[AMBER] mdread MMPBSA
(Tue Jul 30 2013 - 03:19:27 PDT)
[AMBER] MMPBSA
(Tue Jul 30 2013 - 03:17:35 PDT)
Tru Huynh
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Mon Jul 08 2013 - 07:08:29 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Mon Jul 08 2013 - 04:12:18 PDT)
Re: [AMBER] 'undefined reference to MPI::...' error messages when compiling Amber 12 on CentOS 6 for "-mpi -cuda"
(Fri Jul 05 2013 - 05:31:45 PDT)
[AMBER] OT? several gcc/CentOS-6 (Re: DihedralSearch.cpp:53: error: unknown escape sequence) '\*'
(Thu Jul 04 2013 - 16:19:07 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Thu Jul 04 2013 - 16:05:39 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Thu Jul 04 2013 - 01:30:03 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 12:32:46 PDT)
Re: [AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Wed Jul 03 2013 - 12:22:44 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 11:28:35 PDT)
[AMBER] DihedralSearch.cpp:53: error: unknown escape sequence '\*'
(Wed Jul 03 2013 - 11:05:45 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:38:08 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:35:56 PDT)
Re: [AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 10:34:34 PDT)
[AMBER] 4x Asus Titan boards :) GB/nucleosome passed
(Wed Jul 03 2013 - 09:00:49 PDT)
Vaibhav Dixit
Re: [AMBER] solvent accessible surface area (SASA)
(Sat Jul 13 2013 - 04:48:26 PDT)
Vijay Manickam Achari
Re: [AMBER] Calculating diffusion Constant D
(Thu Jul 25 2013 - 19:42:48 PDT)
[AMBER] Calculating diffusion Constant D
(Thu Jul 25 2013 - 03:07:19 PDT)
Wang Chern Hoe (Dr)
[AMBER] residue selection
(Thu Jul 25 2013 - 01:28:51 PDT)
[AMBER] minimization codes
(Mon Jul 22 2013 - 00:00:51 PDT)
Re: [AMBER] problem (re)compiling pmemd.cuda_SPFP: Reading module netcdf at line 23 column 34: Expected integer
(Fri Jul 12 2013 - 06:05:14 PDT)
[AMBER] CUDA MPI compilation issue
(Thu Jul 11 2013 - 20:06:16 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Thu Jul 11 2013 - 08:26:52 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Wed Jul 10 2013 - 23:01:34 PDT)
Re: [AMBER] Amber 12 on OSX 10.8.4
(Wed Jul 10 2013 - 19:09:00 PDT)
[AMBER] Amber 12 on OSX 10.8.4
(Wed Jul 10 2013 - 16:17:59 PDT)
wl2290.columbia.edu
[AMBER] amber12's performance on AMD
(Thu Jul 18 2013 - 12:36:20 PDT)
WuYunjian
[AMBER] TIME(ps) value
(Mon Jul 08 2013 - 13:06:43 PDT)
Xiaoquan Sun
[AMBER] Abnormal simulation in the sulfonic acid group.
(Wed Jul 03 2013 - 21:28:38 PDT)
Yan Duan
[AMBER] How to assign initial velocities (directly not by increasing temeperature) to water molecules
(Tue Jul 30 2013 - 14:42:33 PDT)
yanyuna
[AMBER] antechamber
(Sun Jul 28 2013 - 23:16:55 PDT)
[AMBER] antechamber
(Sun Jul 28 2013 - 19:44:12 PDT)
Yi An
Re: [AMBER] MMPBSA.py problem on G gas
(Tue Jul 23 2013 - 17:42:54 PDT)
[AMBER] MMPBSA.py problem on G gas
(Tue Jul 23 2013 - 14:53:34 PDT)
Re: [AMBER] Multiple Trajectory MMPBSA
(Fri Jul 19 2013 - 15:33:14 PDT)
[AMBER] Multiple Trajectory MMPBSA
(Fri Jul 19 2013 - 12:58:51 PDT)
Yip Yew Mun
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 03:41:58 PDT)
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 03:19:07 PDT)
Re: [AMBER] What's the difference between NetCDF files and .crd files?
(Tue Jul 16 2013 - 02:46:13 PDT)
Re: [AMBER] Problems with generating histograms in AMBER tutorial 18
(Thu Jul 11 2013 - 19:59:05 PDT)
[AMBER] Problems with generating histograms in AMBER tutorial 18
(Thu Jul 11 2013 - 18:44:39 PDT)
Re: [AMBER] Is it possible to do constant pH simulations by titrating the basic residues as well?
(Thu Jul 11 2013 - 07:46:41 PDT)
[AMBER] How to run aMD with amber?
(Mon Jul 08 2013 - 16:36:16 PDT)
Re: [AMBER] Is it possible to merge static PDB files of the same PDB ID to become a mdcrd file?
(Fri Jul 05 2013 - 08:47:17 PDT)
Re: [AMBER] Is it possible to merge static PDB files of the same PDB ID to become a mdcrd file?
(Fri Jul 05 2013 - 06:19:26 PDT)
Re: [AMBER] A General Question with regards to the NVT & NPT ensembles in MD Simulations
(Fri Jul 05 2013 - 06:16:34 PDT)
[AMBER] Is it possible to merge static PDB files of the same PDB ID to become a mdcrd file?
(Fri Jul 05 2013 - 01:31:04 PDT)
[AMBER] A General Question with regards to the NVT & NPT ensembles in MD Simulations
(Fri Jul 05 2013 - 01:12:36 PDT)
[AMBER] Is it possible to run accelerated MD with amber10?
(Thu Jul 04 2013 - 20:16:59 PDT)
zhonghe xu
[AMBER] atom type for N bond to conjugated chain using antechamber
(Thu Jul 04 2013 - 20:32:11 PDT)
涂志萍
Re: [AMBER] &ewald skinnb=2.0d0 /
(Mon Jul 01 2013 - 20:25:35 PDT)
[AMBER] &ewald skinnb=2.0d0 /
(Mon Jul 01 2013 - 19:47:32 PDT)
赵媛
[AMBER] How to add metal ions?
(Wed Jul 17 2013 - 04:43:11 PDT)
전선희
[AMBER] TESTING RELATIVE ERROR over r ranging from 0.0 to cutoff
(Mon Jul 08 2013 - 23:12:57 PDT)
[AMBER] About cntrl error...please help..
(Mon Jul 01 2013 - 22:08:25 PDT)
Last message date
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Wed Jul 31 2013 - 20:30:04 PDT
Archived on
: Sun Dec 22 2024 - 05:54:50 PST
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