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NAMD-L: By messages with attachments

By messages with attachments

4497 messages sorted by: [ author ] [ date ] [ thread ] [ subject ]
About this archive

Starting: Sat Jan 01 2011 - 12:21:40 CST
Ending: Mon Dec 31 2012 - 14:36:03 CST

• reassigning temperatures Martin, Erik W (Thu Dec 20 2012 - 11:40:36 CST)
  1. temps.jpg (49762 bytes)
• Re: Alchemical transformations and DDG of point mutations Gianluca Interlandi (Thu Dec 13 2012 - 16:10:45 CST)
  1. vwf_dyn_10ns_fep_extr.jpg (100990 bytes)
• Colvars value is out of boundary DAI, JIAN (Mon Dec 10 2012 - 16:15:45 CST)
  1. md.1.conf (1458 bytes)
  2. colvars.tcl (690 bytes)
• pressure profile calculations upayan baul (Sat Nov 17 2012 - 04:55:59 CST)
  1. 15-20ns.conf (2892 bytes)
  2. 15-20ns-ewald.conf (1914 bytes)
• Errors compiling namd with CUDA Martin, Erik W (Tue Nov 13 2012 - 10:15:53 CST)
  1. cuda-errors.txt (18194 bytes)
• RE: A bug in replica.namd? Ada Zhan (Thu Nov 08 2012 - 13:32:39 CST)
  1. replica_mod.namd (5920 bytes)
• Re: unreasonably high temp/pressure Martin, Erik W (Wed Oct 24 2012 - 14:33:41 CDT)
  1. press.jpg (58942 bytes)
  2. pack.temp.conf (2630 bytes)
• Re: unreasonably high temp/pressure Martin, Erik W (Wed Oct 24 2012 - 10:34:57 CDT)
  1. tip4-run.test.conf (2737 bytes)
• [MetaD; namd 2.9] Pmf output file problem once the CV boundaries are reached, even using "expandBoundaries on" Salvatore Mario Cosseddu (Fri Sep 07 2012 - 07:49:36 CDT)
  1. temperedMetaDPMF.png (20435 bytes)
  2. colvar.traj.png (19329 bytes)
• Rückruf: scnb value to prevent VDWs scaling Norman Geist (Thu Sep 06 2012 - 08:10:22 CDT)
  1. winmail.dat (1177 bytes)
• NAMD 2.9 with CUDA runs Ashley Chew (Fri Aug 31 2012 - 04:02:48 CDT)
  1. image003.png (35649 bytes)
• Re: inputPrefix in ABF Branko (Thu Aug 16 2012 - 04:02:32 CDT)
  1. 24diiPrcolvsec (710 bytes)
• peculiar scaling on the GPU Ajasja LjubetiÄ� (Tue Jul 31 2012 - 09:06:50 CDT)
  1. 00001.log (15128 bytes)
• problem with NAMD surface area calculation (LCPO) -- fixed Clayton (Mon Jul 23 2012 - 10:08:35 CDT)
  1. formula.png (27770 bytes)
• testing digest demime - please ignore #2 Jim Phillips (Tue Jul 03 2012 - 19:59:09 CDT)
  1. foo (0 bytes)
• testing digest demime - please ignore Jim Phillips (Tue Jul 03 2012 - 17:50:18 CDT)
  1. foo (0 bytes)
• Re: Atoms moving too fast only with CUDA version. amin_at_imtech.res.in (Wed Jun 27 2012 - 01:34:28 CDT)
  1. equil_mod.conf (2113 bytes)
• Workshop for Computational Chemistry & Physics MARK PLUMMER (Wed Jun 20 2012 - 15:17:27 CDT)
  1. Advertising_Statement_for_2013_ACP_Workshop_final.docx (17252 bytes)
• Negative surface area? David Minh (Fri Jun 15 2012 - 09:08:12 CDT)
  1. NAMD_Test.tar.gz (29505 bytes)
• namd simulation:protein,ligand,lipid,water and ions Marlet Martinez (Wed Jun 13 2012 - 18:44:40 CDT)
  1. 02.log (8253 bytes)
• NAMD-INCONSISTENCY IN SCOR jose correa (Tue Jun 12 2012 - 17:23:00 CDT)
  1. 02.log (8253 bytes)
• Workshop - Computational Molecular Physics of Non-Bonded Bio-Molecular Interactions MARK PLUMMER (Mon Jun 11 2012 - 17:14:51 CDT)
  1. Advertising_Statement_for_2013_ACP_Workshop_final.docx (17224 bytes)
• RE: AW: compress PSF into INTER Cruz-Chu Eduardo Roberto (Thu Jun 07 2012 - 07:02:35 CDT)
  1. eg07PSF4.namd (4492 bytes)
  2. 03_memOptcompiled.log (5692 bytes)
  3. 02_compiled.log (3912 bytes)
  4. 01_download.log (3896 bytes)
• RE: compress PSF into INTER Cruz-Chu Eduardo Roberto (Thu Jun 07 2012 - 04:20:56 CDT)
  1. MinProtPSF.log (3991 bytes)
• compress PSF into INTER Cruz-Chu Eduardo Roberto (Wed Jun 06 2012 - 13:37:34 CDT)
  1. MinPSF.namd (4486 bytes)
• Re: Issues with 'Gyration' in Colvars module Shaon Chakrabarti (Sat Jun 02 2012 - 14:29:52 CDT)
  1. colvars_abf.conf (338 bytes)
  2. test.colvars.traj (709 bytes)
• Issues with 'Gyration' in Colvars module Jérôme Hénin (Fri May 25 2012 - 13:20:49 CDT)
  1. colvarcomp_distances.C (30863 bytes)
• Re: Issues with 'Gyration' in Colvars module Shaon Chakrabarti (Wed May 23 2012 - 17:11:13 CDT)
  1. molecule.colvars.traj (1147 bytes)
  2. colvars_abf.conf (293 bytes)
• stereo-chemical inversion during MD Gordon Wells (Mon May 07 2012 - 12:01:24 CDT)
  1. LGlu_autopsf.pdb (1472 bytes)
  2. LGlu_distorted.pdb (2923 bytes)
• Re: namd and x-plor Jernej Zidar (Sat Apr 14 2012 - 08:16:08 CDT)
  1. smime.p7s (2077 bytes)
• Re: PDB sugar unit residue name Massimiliano Porrini (Fri Mar 30 2012 - 07:06:15 CDT)
  1. AGLCNA.pdb (865 bytes)
  2. aglcna.pgn (755 bytes)
• Re: PDB sugar unit residue name Massimiliano Porrini (Thu Mar 29 2012 - 14:05:04 CDT)
  1. AGLCNA.pdb (865 bytes)
  2. aglcna.pgn (755 bytes)
• conf file question Molecular Dynamics (Wed Mar 21 2012 - 04:19:57 CDT)
  1. namd.conf (1421 bytes)
• Re: Compiling NAMD on NICS Kraken Jernej Zidar (Thu Mar 08 2012 - 23:42:09 CST)
  1. smime.p7s (2077 bytes)
• Re: R: restart file Namd Namd (Mon Feb 27 2012 - 02:42:32 CST)
  1. file.conf (1488 bytes)
• Re: Analysis of FEP output file Chris Chipot (Thu Feb 16 2012 - 07:35:12 CST)
  1. parseFEP.tcl (138547 bytes)
• Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module Giacomo Fiorin (Tue Feb 07 2012 - 16:57:33 CST)
  1. quaternion2rmatrix.tcl (1997 bytes)
• rigidBonds water option Hasan haska (Thu Feb 02 2012 - 01:48:22 CST)
  1. namd.conf (3175 bytes)
• Re: Harmonic Constrain like MMFP in CHARMM Vahid Mirjalili (Fri Jan 20 2012 - 19:41:28 CST)
  1. rmsd (380 bytes)
• target pressure value Namd Namd (Tue Jan 17 2012 - 06:32:45 CST)
  1. pressurefile.gif (20610 bytes)
• target pressure value Namd Namd (Tue Jan 17 2012 - 06:30:20 CST)
  1. pressure.jpeg (20610 bytes)
• Re: Controlling fans on a GTX 560 ti Axel Kohlmeyer (Mon Jan 16 2012 - 19:29:26 CST)
  1. gpu-fans.tar.gz (2050 bytes)
• Problem running NAMD 2.8 with ibverbs Moritz Schlarb (Fri Jan 06 2012 - 09:29:18 CST)
  1. alanin.log (1477 bytes)
• Re: vmd-l: Parse Fep plugin error John Stone (Fri Dec 23 2011 - 10:47:56 CST)
  1. parseFEP.tcl (127449 bytes)
• Segmentation violation with adaptive tempering. Nicholas M Glykos (Sun Nov 20 2011 - 05:13:02 CST)
  1. LOG_segmentation_violation (12172 bytes)
  2. LOG_normal (17424 bytes)
• Fwd: restrain on COM Swarna M Patra (Fri Nov 18 2011 - 23:33:09 CST)
  1. run_conf2 (3744 bytes)
  2. restrain2.tcl (3415 bytes)
• Re: Umbrella sampling koushik.k (Wed Nov 16 2011 - 22:18:59 CST)
  1. hist.png (12438 bytes)
• different velocities problem Hasan haska (Tue Oct 25 2011 - 01:28:22 CDT)
  1. velocity.dat (3006 bytes)
• Re: FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR CT2 CT1 CT2 (ATOMS 107 98 100) Jernej Zidar (Sun Oct 23 2011 - 19:45:56 CDT)
  1. smime.p7s (2077 bytes)
• Re: Using CHARMM Compatible Amber Parameters Jernej Zidar (Wed Oct 19 2011 - 20:22:46 CDT)
  1. smime.p7s (2077 bytes)
• Re: ABF with Alpha colvar can't be used on supercomputer? Jérôme Hénin (Thu Sep 29 2011 - 09:56:46 CDT)
  1. colvaratoms.C.patch.gz (220 bytes)
• Re: membrane system Bjoern Olausson (Thu Sep 22 2011 - 03:10:00 CDT)
  1. signature.asc_ (199 bytes)
• ABF & distanceZ projection axis more HAMID - (Thu Sep 22 2011 - 03:05:07 CDT)
  1. ABFpic.pdf (17510 bytes)
• Re: membrane system Bjoern Olausson (Wed Sep 21 2011 - 05:02:08 CDT)
  1. signature.asc_ (199 bytes)
• Re: Fwd: Re : Setting up a membrane simulation Bjoern Olausson (Tue Sep 20 2011 - 05:43:30 CDT)
  1. signature.asc_ (199 bytes)
• Re: Fwd: Re : Setting up a membrane simulation Bjoern Olausson (Tue Sep 20 2011 - 04:27:23 CDT)
  1. signature.asc_ (199 bytes)
• Re: Setting up a membrane simulation Bjoern Olausson (Fri Sep 16 2011 - 07:13:56 CDT)
  1. signature.asc_ (199 bytes)
• Re: HETATM vs ATOM in .pdb file Bjoern Olausson (Wed Aug 31 2011 - 06:20:55 CDT)
  1. signature.asc_ (199 bytes)
• Logfile flooded with "The last position output [...]" when IMDon is used. Bjoern Olausson (Tue Aug 23 2011 - 04:32:47 CDT)
  1. signature.asc_ (199 bytes)
• AW: CUDA on GPU Cluster Norman Geist (Mon Aug 22 2011 - 00:47:16 CDT)
  1. provide (74 bytes)
• Re: AW: Letzte Hilfe Bjoern Olausson (Tue Aug 16 2011 - 06:17:36 CDT)
  1. signature.asc_ (199 bytes)
• Re: Denaturation via increased temperature Bjoern Olausson (Mon Aug 15 2011 - 06:11:17 CDT)
  1. signature.asc_ (199 bytes)
• Re: Denaturation via increased temperature Bjoern Olausson (Mon Aug 15 2011 - 04:31:25 CDT)
  1. signature.asc_ (199 bytes)
• Denaturation via increased temperature Bjoern Olausson (Mon Aug 15 2011 - 04:11:06 CDT)
  1. signature.asc_ (199 bytes)
• Re: Lipid bilayer equilibration: Periodic cell has become too small for original patch grid! Bjoern Olausson (Wed Aug 10 2011 - 02:49:01 CDT)
  1. signature.asc_ (199 bytes)
• Re: Lipid bilayer equilibration: Periodic cell has become too small for original patch grid! Bjoern Olausson (Mon Aug 08 2011 - 02:57:08 CDT)
  1. signature.asc_ (199 bytes)
• Re: NAMD 2.8 job submission script for queenbee: ManyJobs Thomas Bishop (Tue Jul 26 2011 - 08:46:29 CDT)
  1. qb.tcsh (714 bytes)
  2. qb.tcsh (1011 bytes)
• Re: how to generate transparent figures? Bjoern Olausson (Mon Jul 25 2011 - 04:04:58 CDT)
  1. signature.asc_ (199 bytes)
• Re: Yan: analysis question Bjoern Olausson (Fri Jul 22 2011 - 03:01:05 CDT)
  1. signature.asc_ (199 bytes)
• Re: PME or not PME? What happens if PME is turned off? Bjoern Olausson (Wed Jul 20 2011 - 03:03:10 CDT)
  1. signature.asc_ (199 bytes)
• Re: analysis question Bjoern Olausson (Tue Jul 19 2011 - 05:43:34 CDT)
  1. signature.asc_ (199 bytes)
• PME or not PME? What happens if PME is turned off? Bjoern Olausson (Mon Jul 18 2011 - 04:10:08 CDT)
  1. signature.asc_ (199 bytes)
• Help required for nanoscale simulation amit banerjee (Wed Jul 13 2011 - 03:03:45 CDT)
  1. conf_file_for_picoscale_simulation.conf (2457 bytes)
• Problem while using MARTINI force field with NAMD 2.8 rohan uttarwar (Tue Jul 12 2011 - 11:42:14 CDT)
  1. equil.conf (3212 bytes)
  2. par_cg_hexdecane.inp (1042 bytes)
• tesla 2050 benchmark Burgess, Don E (Tue Jul 12 2011 - 13:56:45 CDT)
  1. 09.log (15340 bytes)
• Re: temperature-TS with NAMDplot Bjoern Olausson (Fri Jul 08 2011 - 09:07:43 CDT)
  1. signature.asc_ (199 bytes)
• Re: temperature-TS with NAMDplot Bjoern Olausson (Fri Jul 08 2011 - 06:30:09 CDT)
  1. signature.asc_ (199 bytes)
• Re: Implicit solvent simulation Bjoern Olausson (Fri Jul 08 2011 - 05:57:03 CDT)
  1. signature.asc_ (199 bytes)
• Re: Re: Protein moving out of box during npt simulation Bjoern Olausson (Fri Jul 08 2011 - 02:50:29 CDT)
  1. signature.asc_ (199 bytes)
• Re: Re: Protein moving out of box during npt simulation Bjoern Olausson (Tue Jul 05 2011 - 04:22:50 CDT)
  1. signature.asc_ (199 bytes)
• simulated annealing protocol Massimiliano Porrini (Tue Jun 21 2011 - 07:41:00 CDT)
  1. SA.conf (3005 bytes)
• Re: NAMD crashes with OpenMPI/OpenMX Bjoern Olausson (Thu Jun 16 2011 - 07:40:07 CDT)
  1. signature.asc_ (199 bytes)
• Re: about log file Bjoern Olausson (Thu Jun 09 2011 - 05:02:36 CDT)
  1. signature.asc_ (199 bytes)
• AW: AMD-PhenomII-1075_GTX470 NAMD-CUDA performance Norman Geist (Mon Jun 06 2011 - 06:49:06 CDT)
  1. teslac2050.png (38201 bytes)
• Re: water equilibration Bjoern Olausson (Mon Jun 06 2011 - 09:12:33 CDT)
  1. signature.asc_ (199 bytes)
• Re: NAMD crashes when writing restart file and dcdfreq is 1 Ajasja LjubetiÄ� (Tue May 24 2011 - 07:25:25 CDT)
  1. CRASH.sh (402 bytes)
• Re: the meaning of " 5-ZEROS" " 9-ZEROS" in the DCD file Bjoern Olausson (Tue May 24 2011 - 03:44:23 CDT)
  1. signature.asc_ (199 bytes)
• Re: dcd files Artem Zhmurov (Sun May 22 2011 - 16:52:19 CDT)
  1. dcdio.c (6885 bytes)
  2. dcdio.h (735 bytes)
• error in the orientationAngle Prathit Chatterjee (Sat May 21 2011 - 03:51:10 CDT)
  1. npt01.out (10866 bytes)
• Typo in NAMD 2.8b2 output for Accelerated MD Bjoern Olausson (Thu May 19 2011 - 07:25:51 CDT)
  1. signature.asc_ (199 bytes)
• Re: hi Bjoern Olausson (Thu May 19 2011 - 04:29:14 CDT)
  1. signature.asc_ (199 bytes)
• Re: NAMD 2.7/2.8b2 stuck - [0] processControlPoints() haveControlPointChangeCallback=0 frameworkShouldAdvancePhase=0 Bjoern Olausson (Thu May 19 2011 - 04:00:33 CDT)
  1. signature.asc_ (199 bytes)
• Re: NAMD 2.7/2.8b2 stuck - [0] processControlPoints() haveControlPointChangeCallback=0 frameworkShouldAdvancePhase=0 Bjoern Olausson (Mon May 16 2011 - 04:02:51 CDT)
  1. signature.asc_ (199 bytes)
• Re: REMD segmentation fault Massimiliano Porrini (Fri May 13 2011 - 08:41:09 CDT)
  1. restart_1.out (15933 bytes)
• REMD segmentation fault Massimiliano Porrini (Fri May 13 2011 - 07:58:45 CDT)
  1. error.dat (4782 bytes)
• Re: NAMD2.7 on BluegeneL hang at "LDB: Central LB being created..." Bjoern Olausson (Fri May 13 2011 - 02:47:16 CDT)
  1. signature.asc_ (199 bytes)
• Re: Re: Re: q=AD=94=E5=A4=8D=3A_namd-l=3A_compilation_of?= namd Bjoern Olausson (Thu May 12 2011 - 11:13:21 CDT)
  1. signature.asc_ (199 bytes)
• Re: Re: Re: q=AD=94=E5=A4=8D=3A_namd-l=3A_compilation_of?= namd Bjoern Olausson (Thu May 12 2011 - 09:58:47 CDT)
  1. signature.asc_ (199 bytes)
• Re: Re: q=AD=94=E5=A4=8D=3A_namd-l=3A_compilation_of?= namd Bjoern Olausson (Thu May 12 2011 - 08:11:57 CDT)
  1. signature.asc_ (199 bytes)
• Re: ABF simulation with extendedLagrangian on keeps crashing Ajasja LjubetiÄ� (Thu May 12 2011 - 03:55:03 CDT)
  1. tp.in (1612 bytes)
• Re: Re: q=AD=94=E5=A4=8D=3A_namd-l=3A_compilation_of?= namd Bjoern Olausson (Thu May 12 2011 - 02:45:49 CDT)
  1. signature.asc_ (199 bytes)
• Re: NAMDEnergy Plugin - setting PMEGridSize / mesh density Michael S. Sellers (Cont, ARL/WMRD) (Wed May 11 2011 - 15:29:25 CDT)
  1. smime.p7s (10449 bytes)
• Re: Accelerated MD: question about dual boost mode Bjoern Olausson (Tue May 10 2011 - 10:17:59 CDT)
  1. signature.asc_ (199 bytes)
• Re: Accelerated MD: question about dual boost mode Bjoern Olausson (Tue May 10 2011 - 07:32:13 CDT)
  1. signature.asc_ (199 bytes)
• Re: ABF simulation with extendedLagrangian on keeps crashing Jérôme Hénin (Thu May 05 2011 - 10:23:23 CDT)
  1. angle_ABF.tar.gz (9698 bytes)
• Re: 'cutting' colvars.traj file Bjoern Olausson (Tue May 03 2011 - 08:34:21 CDT)
  1. signature.asc_ (199 bytes)
• Re: 'cutting' colvars.traj file Bjoern Olausson (Tue May 03 2011 - 05:45:23 CDT)
  1. signature.asc_ (199 bytes)
• run tests with CUDA Massimiliano Porrini (Mon May 02 2011 - 16:25:17 CDT)
  1. dynamix.conf (1984 bytes)
• Re: 'cutting' colvars.traj file Bjoern Olausson (Wed Apr 27 2011 - 05:53:41 CDT)
  1. signature.asc_ (199 bytes)
• Re: ABF simulation with extendedLagrangian on keeps crashing Ajasja LjubetiÄ� (Tue Apr 19 2011 - 12:05:23 CDT)
  1. tp.00001.colvars.traj.zip (5223 bytes)
• Re: NVT setup for monolayer Bjoern Olausson (Thu Apr 14 2011 - 02:17:35 CDT)
  1. signature.asc_ (199 bytes)
• Re: Help building a desktop for namd Axel Kohlmeyer (Mon Apr 11 2011 - 15:06:33 CDT)
  1. namd-scale.pdf (16882 bytes)
• NVT setup for monolayer Bjoern Olausson (Thu Apr 07 2011 - 08:24:32 CDT)
  1. signature.asc_ (199 bytes)
• Fwd: Wrong exit from RAMD runs Francesco Pietra (Tue Apr 05 2011 - 15:34:19 CDT)
  1. ramd.wrong.output.txt (2932 bytes)
• Wrong exit from RAMD runs Francesco Pietra (Tue Apr 05 2011 - 03:11:29 CDT)
  1. ramd.wrong.output.txt (2932 bytes)
• Re: Multi node run causes "CUDA error cudaStreamCreate" Michael S. Sellers (Cont, ARL/WMRD) (Fri Apr 01 2011 - 15:46:21 CDT)
  1. smime.p7s (10449 bytes)
• Re: Why are the pressures in my box of water systematically off? Tom Sisan (Wed Mar 30 2011 - 12:40:58 CDT)
  1. w233pressures.png (25062 bytes)
• Re: Rotate two linked proteins against each other and calculate energy profile Bjoern Olausson (Tue Mar 29 2011 - 10:16:12 CDT)
  1. signature.asc_ (199 bytes)
• Re: Rotate two linked proteins against each other and calculate energy profile Jérôme Hénin (Tue Mar 29 2011 - 07:03:14 CDT)
  1. periodicity-update.tar.gz (25108 bytes)
• Re: Rotate two linked proteins against each other and calculate energy profile Bjoern Olausson (Mon Mar 28 2011 - 11:36:13 CDT)
  1. signature.asc_ (199 bytes)
• Re: Rotate two linked proteins against each other and calculate energy profile Bjoern Olausson (Mon Mar 28 2011 - 11:18:09 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Mon Mar 28 2011 - 09:56:41 CDT)
  1. signature.asc_ (199 bytes)
• Re: namd and Fedora14 Michael S. Sellers (Cont, ARL/WMRD) (Mon Mar 28 2011 - 09:16:51 CDT)
  1. smime.p7s (10449 bytes)
• Re: namd and Fedora14 Michael S. Sellers (Cont, ARL/WMRD) (Mon Mar 28 2011 - 09:12:47 CDT)
  1. smime.p7s (10449 bytes)
• Re: Rotate two linked proteins against each other and calculate energy profile Bjoern Olausson (Mon Mar 28 2011 - 07:49:23 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Mon Mar 28 2011 - 02:45:46 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Wed Mar 23 2011 - 06:57:32 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Wed Mar 23 2011 - 09:32:43 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS question and possible Bug for colvar "outputSystemForce" declaration in NAMD CVS-2011-03-03 Bjoern Olausson (Wed Mar 23 2011 - 07:06:21 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Wed Mar 23 2011 - 07:04:29 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS question and possible Bug for colvar "outputSystemForce" declaration in NAMD CVS-2011-03-03 Bjoern Olausson (Wed Mar 23 2011 - 03:18:22 CDT)
  1. signature.asc_ (199 bytes)
• Re: GBIS and ABF Bjoern Olausson (Tue Mar 22 2011 - 18:13:18 CDT)
  1. signature.asc_ (199 bytes)
• GBIS question and possible Bug for colvar "outputSystemForce" declaration in NAMD CVS-2011-03-03 Bjoern Olausson (Tue Mar 22 2011 - 17:56:09 CDT)
  1. signature.asc_ (199 bytes)
• Re: rule of thumb for dcd sampling frequency? Michael S. Sellers (Cont, ARL/WMRD) (Tue Mar 22 2011 - 15:56:17 CDT)
  1. smime.p7s (10449 bytes)
• GBIS not compatible with CUDA at this time Michael S. Sellers (Cont, ARL/WMRD) (Tue Mar 22 2011 - 13:27:48 CDT)
  1. smime.p7s (10449 bytes)
• Re: namd and Fedora14 Michael S. Sellers (Cont, ARL/WMRD) (Tue Mar 22 2011 - 10:10:02 CDT)
  1. smime.p7s (10449 bytes)
• Re: Accelerated MD documentation? Bjoern Olausson (Tue Mar 15 2011 - 10:47:21 CDT)
  1. signature.asc_ (199 bytes)
• Re: Accelerated MD documentation? Bjoern Olausson (Tue Mar 15 2011 - 08:59:48 CDT)
  1. signature.asc_ (199 bytes)
• Re: BOUNCE namd-l@ks.uiuc.edu: Message too long (>40000 chars) Francesco Pietra (Fri Mar 11 2011 - 11:46:30 CST)
  1. 371.jpg (11413 bytes)
  2. 427.jpg (5969 bytes)
• Re: vmd-l: Re: hBond colvars and patching Francesco Pietra (Mon Mar 07 2011 - 10:04:37 CST)
  1. asp.jpg (37881 bytes)
• Re: membrane equilibration Ajasja LjubetiÄ� (Fri Mar 04 2011 - 05:09:19 CST)
  1. psfregen.vmd (1863 bytes)
• Re: Psfgen Errors for C-type Heme Thomas Freeman (Tue Mar 01 2011 - 14:15:56 CST)
  1. top_c_heme.inp (28026 bytes)
• maximum number of atoms per patch Branko (Sun Feb 27 2011 - 12:21:56 CST)
  1. voda2.namd (2438 bytes)
• psfgen - any version capable of reading extended PSF files? Bjoern Olausson (Fri Feb 11 2011 - 05:47:05 CST)
  1. signature.asc_ (199 bytes)
• job termination ipsita basu (Fri Feb 11 2011 - 00:46:17 CST)
  1. input.doc (12800 bytes)
• Re: Get number of timesteps from DCD via script Bjoern Olausson (Thu Feb 10 2011 - 03:52:44 CST)
  1. signature.asc_ (199 bytes)
• FEP - Protein binding to Membrane surface Bjoern Olausson (Thu Feb 10 2011 - 03:50:37 CST)
  1. signature.asc_ (199 bytes)
• Re: Get number of timesteps from DCD via script Bjoern Olausson (Wed Feb 09 2011 - 08:32:13 CST)
  1. signature.asc_ (199 bytes)
• Re: Get number of timesteps from DCD via script Bjoern Olausson (Wed Feb 09 2011 - 08:05:42 CST)
  1. signature.asc_ (199 bytes)
• Re: Get number of timesteps from DCD via script Bjoern Olausson (Wed Feb 09 2011 - 06:37:20 CST)
  1. signature.asc_ (199 bytes)
• Re: Get number of timesteps from DCD via script Bjoern Olausson (Tue Feb 08 2011 - 05:24:29 CST)
  1. signature.asc_ (199 bytes)
• Get number of timesteps from DCD via script Bjoern Olausson (Mon Feb 07 2011 - 06:52:39 CST)
  1. signature.asc_ (199 bytes)
• Re: Feature request for the colvars module -- TCL syntax Ajasja LjubetiÄ� (Mon Jan 24 2011 - 08:16:01 CST)
  1. example.rar (10313 bytes)

Last message date: Mon Dec 31 2012 - 14:36:03 CST
Archived on: Mon Dec 31 2012 - 23:22:26 CST

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