Tutorial-l Mailing List
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Starting: Thu Jul 14 2005 - 12:24:32 CDT
Ending: Mon May 13 2013 - 20:34:05 CDT
- FATAL error Alia Sagatova (Mon May 13 2013 - 20:33:55 CDT)
- NAMD Tutorial - Water Sphere - Altering size of water sphere Peter Murphy (Wed May 08 2013 - 07:06:37 CDT)
- a question regarding eField calculation Houyang Chen (Thu Apr 25 2013 - 13:04:13 CDT)
- Re: Modeling Nanopores for Sequencing DNA - genCompressedPsf Sridhar Kumar Kannam (Thu Apr 04 2013 - 21:26:57 CDT)
- Modeling Nanopores for Sequencing DNA - genCompressedPsf Sridhar Kumar Kannam (Wed Apr 03 2013 - 18:03:55 CDT)
- problems with smd.tcl script mvitod (Tue Jan 22 2013 - 12:52:30 CST)
- Problems with running simulation for the first time Rahul Nori (Mon Jan 07 2013 - 12:00:47 CST)
- Constraint failure in RATTLE algorithm yp sun (Mon Dec 17 2012 - 00:26:58 CST)
- NAMD 2.9 CUDA: lateral pressure profiling Levi Morrison (Tue Nov 20 2012 - 17:30:50 CST)
- Problem with NAMDtutorial valentina.romano_at_unibas.ch (Wed Sep 26 2012 - 11:48:28 CDT)
- IMD-Tutorial (alanine) does not work with CUDA support - Atoms moving too fast Greipel.Joachim_at_mh-hannover.de (Thu Jun 28 2012 - 01:25:07 CDT)
- Fwd: help Chris Harrison (Tue Apr 17 2012 - 19:23:54 CDT)
- What is the means of system-min.conf in the Residue-Based Coarse tutorial? javacfish (Tue Apr 17 2012 - 11:18:30 CDT)
- Issue with molefacture Greg Tietjen (Mon Apr 16 2012 - 21:36:10 CDT)
- Can not download AmberTools-tcbg_molefmod-1.5.tar.bz2 javacfish (Mon Apr 16 2012 - 02:11:08 CDT)
- Three questions about bonds accross the boundary Hall McDull (Mon Apr 16 2012 - 00:03:05 CDT)
- a question about PME grid size Albert (Fri Mar 23 2012 - 03:35:21 CDT)
- equilibrium error for membrane system Albert (Thu Mar 22 2012 - 09:27:33 CDT)
- FEP tutorial-molecule from step 6 will not load Alisha \ (Mon Mar 19 2012 - 01:25:37 CDT)
- Simulations with alpha methylated amino acids amin_at_imtech.res.in (Wed Mar 14 2012 - 10:24:58 CDT)
- keep_water_out.tcl in Membrane proteins tutorial Takuro UDAGAWA (Mon Dec 05 2011 - 04:37:40 CST)
- ABF Tutorial-Methane Hydration Connie Wang (Thu Aug 11 2011 - 20:41:14 CDT)
- namd question Patrick Chiu (Mon Jul 11 2011 - 15:39:45 CDT)
- Building water boxes Epie Emmanuel Njumbe (Mon Jul 04 2011 - 08:03:35 CDT)
- Keep water out.tcl Rawan Al Nsour (Tue Jun 14 2011 - 22:20:44 CDT)
- Minimizing and Equilibrating RICARDO VAZQUEZ (Fri May 20 2011 - 22:09:08 CDT)
- Minimizing and Equilibrating RICARDO VAZQUEZ (Wed May 11 2011 - 22:04:04 CDT)
- Errror in Running Ubiquitin Tutorial on page 22 Ehsan Ban (Mon Apr 11 2011 - 07:21:54 CDT)
- Problem with NAMD Ubiquitin Tutorial Running Simulation Step 1.4.2 Joseph R. Vella (Tue Mar 01 2011 - 19:47:24 CST)
- running a simulation after minimization Eva Gonzalez Noya (Tue Feb 15 2011 - 16:15:52 CST)
- Problem with NAMD Ubiquitin Tutorial Step4 Joseph R. Vella (Mon Jan 31 2011 - 22:18:28 CST)
- Looking for gnuplot plot files Troels Emtekær Linnet (Fri Jan 07 2011 - 02:07:47 CST)
- NANMA free energy surface vacuum map problems Carles Corbi Verge (Fri Oct 29 2010 - 06:50:23 CDT)
- ABF tutorial. NANMA free energy surface vacumm map problems Carles Corbi Verge (Fri Oct 29 2010 - 06:23:24 CDT)
- Minimization problem in FEP tutorial Courtney Taylor (Mon Sep 20 2010 - 13:55:06 CDT)
- membrane protein tutorial Kevin KNOOPS (Tue Aug 10 2010 - 10:05:21 CDT)
- namd suneyna bansal (Fri Aug 06 2010 - 02:30:12 CDT)
- something wrong with the topology file of cellob01 Bharath Rajeswaran (Thu Jun 24 2010 - 07:13:39 CDT)
- Creating pdb and psf file Shaghayegh Vafaei (Wed Jun 23 2010 - 14:39:53 CDT)
- Regarding patches Bharath Rajeswaran (Wed Jun 23 2010 - 04:52:13 CDT)
- Cell basis vector sharvil kaware (Fri Jun 11 2010 - 16:10:15 CDT)
- regarding unknown residue type Bharath Rajeswaran (Thu Jun 10 2010 - 11:25:58 CDT)
- regarding polymers Bharath Rajeswaran (Wed Jun 02 2010 - 04:31:51 CDT)
- tutorial is not working Ms. Nabila Tahreen (Tue Jun 01 2010 - 23:47:08 CDT)
- Re.PSF file in VMD Bharath Rajeswaran (Fri May 28 2010 - 04:20:58 CDT)
- namd suneyna bansal (Thu May 13 2010 - 05:07:55 CDT)
- nanotube -psf saravana prakash (Tue May 11 2010 - 22:31:57 CDT)
- problem with heme protein simulation Rocco Caliandro (Mon May 03 2010 - 11:49:27 CDT)
- namd suneyna bansal (Tue Apr 13 2010 - 05:02:38 CDT)
- NAMD couldn't use mutiple CPU leuven (Thu Apr 08 2010 - 02:23:07 CDT)
- namd could't use mutiple CPU leuven (Wed Apr 07 2010 - 04:34:44 CDT)
- Only Water & Acetone evaporation. sharvil kaware (Sun Mar 14 2010 - 20:09:13 CDT)
- Biotechnology Tutorial -- Total Energy during Ion Transport Jenni Carvajal (Sun Mar 14 2010 - 18:45:30 CDT)
- Only water simulation sharvil kaware (Thu Mar 04 2010 - 20:20:53 CST)
- Querry sharvil kaware (Thu Mar 04 2010 - 20:10:52 CST)
- Nanotubes tutorial - coorList(577) no such element Drew buschhorn (Mon Feb 15 2010 - 22:56:16 CST)
- Text Mode on OS 10.5 Corey Fugate (Fri Nov 27 2009 - 20:59:51 CST)
- SBCG - Error loating-point value too small to represent Sujata Sovani (Fri Nov 06 2009 - 14:19:22 CST)
- Reference for force field used in "Simulation of Water Permeation Through Nanotubes" Navid Azadi (Mon Sep 28 2009 - 02:32:47 CDT)
- Berendsen- two baths Sandra Rennebaum, Biochemisches Inst. (Tue Aug 11 2009 - 01:53:32 CDT)
- Minimization and equilibration - Configuration file FF parameters Sujata Sovani (Wed Jul 29 2009 - 12:10:09 CDT)
- Unable to generate PSF file due to an unparametrized methyl histidine Sujata Sovani (Tue Jul 28 2009 - 18:01:18 CDT)
- lysozyme simulation Pavel Mironov (Fri Jul 17 2009 - 11:56:22 CDT)
- troubles with generating pdb with hydrogens Corey Fugate (Thu Jul 09 2009 - 13:51:59 CDT)
- RDF for all atoms in multiple frames Courtney Taylor (Thu Jun 18 2009 - 16:56:07 CDT)
- porsche design is your style; Fletcher Quick (Thu Jun 18 2009 - 14:18:17 CDT)
- FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Anna Dejardin (Thu May 14 2009 - 07:24:42 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Peter Freddolino (Thu May 14 2009 - 07:31:41 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Anna Dejardin (Fri May 15 2009 - 08:34:15 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Peter Freddolino (Fri May 15 2009 - 09:44:57 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Anna Dejardin (Mon Jun 15 2009 - 03:49:20 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Chris Harrison (Mon Jun 15 2009 - 06:32:56 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Anna Dejardin (Mon Jun 15 2009 - 06:55:07 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Peter Freddolino (Mon Jun 15 2009 - 07:12:15 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Chris Harrison (Mon Jun 15 2009 - 08:01:00 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Anna Dejardin (Fri May 15 2009 - 08:34:15 CDT)
- Re: FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE Peter Freddolino (Thu May 14 2009 - 07:31:41 CDT)
- empty rmsd.dat file Corey Fugate (Thu Feb 19 2009 - 13:41:03 CST)
- Fatal Error in Tutorial Configuration File Corey Fugate (Sun Feb 01 2009 - 22:04:33 CST)
- How can i write psf for nanotubes?Thanks. houyang chen (Thu Jan 22 2009 - 14:23:20 CST)
- (no subject) gurunath katagi (Tue Jan 20 2009 - 08:31:39 CST)
- test Peter Bender (Fri Dec 19 2008 - 06:48:16 CST)
- test Peter Bender (Fri Dec 19 2008 - 05:17:26 CST)
- alchemical FEP question Nandhini Sokkalingam (Thu Dec 18 2008 - 16:08:54 CST)
- (no subject) gurunath katagi (Wed Dec 10 2008 - 11:32:08 CST)
- Gramicidin tutorial - par-extraterms.inp file needed mahesh kulharia (Wed Nov 12 2008 - 04:08:52 CST)
- NAMD bionanotechnology tutorial: scultor.tcl switches handedness Brian Teague (Thu Oct 16 2008 - 18:27:10 CDT)
- User-defined forces in NAMD Katherine Parra (Mon Oct 06 2008 - 10:35:17 CDT)
- Re: namd-l: PMEGridSize Rabab Toubar (Fri Oct 03 2008 - 15:22:19 CDT)
- velocity DCD file data retrieval Matthew Ambrosia (Wed Sep 17 2008 - 01:48:02 CDT)
- membrane at Gramicidin channel Hyundeok Song (Mon Aug 11 2008 - 11:18:54 CDT)
- residues for purple bacteria non protein brosbam_at_berkeley.edu (Mon Jul 14 2008 - 20:15:11 CDT)
- pressure profile namd saravana prakash (Wed Jun 11 2008 - 07:09:44 CDT)
- How to track distances between molecules while running molecular dynamics? Aaron Osysko (Fri May 23 2008 - 13:54:39 CDT)
- ubuquitin tutorial-FATAL ERROR: BAD IMPROPER FORMAT IN CHARMM PARAMETER FILE roberta.rostagno (Tue May 13 2008 - 05:37:07 CDT)
- the button on the labled AS Hyundeok Song (Mon May 12 2008 - 10:53:36 CDT)
- RMSD for water sphere simulation of ubiquitin in tutorial Maria Sanchez Farran (Mon Mar 31 2008 - 08:12:27 CDT)
- Enquires Seah Harold (Wed Mar 12 2008 - 10:47:35 CDT)
- DCD file Alejandro Ortega (Fri Mar 07 2008 - 12:10:10 CST)
- Enquires Seah Harold (Wed Feb 20 2008 - 00:56:16 CST)
- Enquires Seah Harold (Sun Feb 10 2008 - 22:41:45 CST)
- minimization command Sourmaidou, Damiani (Wed Jan 23 2008 - 12:35:49 CST)
- C NH1 C minimization error Sourmaidou, Damiani (Thu Jan 17 2008 - 06:43:18 CST)
- Enquires Seah Harold (Wed Jan 16 2008 - 03:38:52 CST)
- Reagarding Stretching alanine Per Jr. Greisen (Fri Oct 26 2007 - 05:38:28 CDT)
- a problem about topology and parameter information Liu\.Y\.Z (Sun Oct 21 2007 - 20:16:35 CDT)
- Questions Seah Harold (Wed Oct 03 2007 - 22:03:36 CDT)
- Enquiries Seah Harold (Tue Oct 02 2007 - 20:33:11 CDT)
- (no subject) Liu\.Y\.Z (Wed Sep 26 2007 - 21:06:32 CDT)
- Enquires Seah Harold (Tue Sep 25 2007 - 11:14:47 CDT)
- Enquires Seah Harold (Mon Sep 24 2007 - 10:53:48 CDT)
- Problems encountered in namd tutorials Seah Harold (Mon Sep 17 2007 - 21:25:11 CDT)
- trajectory analysis (fwd) Michael Bach (Fri Aug 24 2007 - 10:45:56 CDT)
- questions on NAMD Deniz Wong (Fri Aug 24 2007 - 01:32:24 CDT)
- water molecule Sathish Gurupatham (Tue Jul 31 2007 - 11:09:27 CDT)
- Can I use FEP in NAMD for reaction of ATP with Kinase? Qiang Zhong (Sun Jul 22 2007 - 03:23:02 CDT)
- free energy,energy,entropy calculation for pushing ATP to active site of kinase! Qiang Zhong (Sun Jul 22 2007 - 03:20:16 CDT)
- HYDROGEN BONDS? Hui Zhu (Tue Jun 12 2007 - 04:41:43 CDT)
- FATAL ERROR: Periodic cell has become too small wahn_at_uiuc.edu (Wed May 16 2007 - 14:30:02 CDT)
- SMD Analysis baxy (Sat May 12 2007 - 15:14:21 CDT)
- problems retriving log file baxy (Sat May 12 2007 - 03:03:57 CDT)
- Shrink periodic box Won-Young Ahn (Mon Apr 23 2007 - 12:35:34 CDT)
- script for hbond time series (fwd) Michael Bach (Wed Mar 21 2007 - 10:29:41 CDT)
- Water density in a periodic box wahn_at_uiuc.edu (Wed Mar 14 2007 - 14:46:20 CDT)
- hydrophobic part of the solvent accessible surface area -request saravana (Mon Mar 05 2007 - 22:10:50 CST)
- Center of mass analysis for a DCD trajectory wahn_at_uiuc.edu (Fri Feb 16 2007 - 13:09:06 CST)
- gofr calculation wahn_at_uiuc.edu (Tue Feb 06 2007 - 18:21:50 CST)
- Re: Re: Timothy Isgro (Tue Jan 30 2007 - 19:41:01 CST)
- (no subject) wahn_at_uiuc.edu (Mon Jan 29 2007 - 13:42:54 CST)
- (no subject) wahn_at_uiuc.edu (Mon Jan 29 2007 - 13:42:13 CST)
- a question about small molecule GUO HAO (Mon Jan 29 2007 - 10:50:08 CST)
- a basic question on NAMD GUO HAO (Thu Jan 25 2007 - 17:52:12 CST)
- Re: Volume C. Parry (Fri Dec 01 2006 - 18:02:17 CST)
- Volume C. Parry (Thu Nov 30 2006 - 09:22:24 CST)
- NAMD tutorial for Windows problem reading pgn file from vmd tkconsole (fwd) Michael Bach (Thu Nov 09 2006 - 16:30:33 CST)
- The format of BOND table in a topology file Won-Young Ahn (Tue Nov 07 2006 - 14:22:53 CST)
- The format of BOND table in a topology file Won-Young Ahn (Tue Nov 07 2006 - 14:20:08 CST)
- Problem Biljana (Sun Nov 05 2006 - 17:24:49 CST)
- Gramicidin A tutorial question DL Lynch (Fri Nov 03 2006 - 06:57:27 CST)
- making psf file Won-Young Ahn (Mon Aug 14 2006 - 11:17:49 CDT)
- Re: namd-l: Minimizing and Equilibrating Timothy Isgro (Tue Jul 18 2006 - 12:19:23 CDT)
- Minimizing and Equilibrating a-yermakova_at_northwestern.edu (Mon Jul 17 2006 - 13:12:52 CDT)
- Questions Rita Leite (Mon Jul 17 2006 - 04:05:21 CDT)
- Ligand-Protein turorial Prashanth Athri (Wed Jun 14 2006 - 09:05:53 CDT)
- QM/MM tutorial Jake Michaelson (Wed Jan 25 2006 - 15:09:48 CST)
- qm/mm in namd? Jake Michaelson (Wed Jan 25 2006 - 15:05:51 CST)
- molecular dynamic simmulation help santhu kumar (Thu Jan 12 2006 - 04:53:05 CST)
- suggestions for improving NAMD tutorial Ana Celia Araujo Vila Verde (Sat Dec 17 2005 - 14:23:01 CST)
- Helices analysis nikki strickland (Wed Nov 30 2005 - 04:48:14 CST)
- RE: [NAMD] Question about vmdtext Grace Shen (Mon Oct 24 2005 - 09:33:17 CDT)
- [NAMD] Question about vmdtext Hoffmann (Sun Oct 23 2005 - 17:09:29 CDT)
- specific heat of ubiquinone abojovschi_at_ict.swin.edu.au (Mon Aug 08 2005 - 19:08:15 CDT)
- NAMD-tutorial - specific heat of ubiquinone abojovschi_at_ict.swin.edu.au (Tue Aug 02 2005 - 21:08:02 CDT)
- Welcome to tutorial-l Michael Bach (Tue Jul 19 2005 - 16:51:49 CDT)
- Testing Tim Skirvin (Thu Jul 14 2005 - 12:24:31 CDT)
Last message date: Mon May 13 2013 - 20:34:05 CDT
Archived on: Wed May 22 2013 - 05:27:36 CDT
243 messages sorted by:
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