Gromacs code

Analysis or utility programs (typically written in C) for Gromacs.

[ICO]NameLast modifiedSizeDescription
[DIR]Parent Directory  -  
[DIR]HyGate/30-Jun-2012 05:38 - JPhysChem 2001 paper (setup files for model pores)
[TXT]HEADER.html02-Jan-2012 19:52 746  
[TXT]labelatoms.tcl10-Jan-2006 12:08 780 label atoms in VMD
[TXT]README.html02-Jan-2012 19:52 1.6K 
[ ]gmx_rescue64-1.4.tar.gz24-Aug-2007 23:28 8.3Krescue corrupted xtc >2GB
[ ]gromacsified_wham_1.x.diff.bz210-Jan-2006 12:08 8.8Kpatches to use Alan Grossfield's wham with Gromacs
[ ]gmx_rescue64-1.3.tar.gz10-Jan-2006 12:08 9.1Krescue corrupted xtc >2GB
[ ]gromacsified_wham_2.0.2.diff.bz215-Aug-2008 16:14 17Kpatches to use Alan Grossfield's wham with Gromacs
[ ]gromacsified_wham_2.0.2-ob1.diff.bz228-Jan-2009 02:23 21Kpatches to use Alan Grossfield's wham with Gromacs
[ ]UmbrellaSetup-1.0.tar.bz210-Jan-2006 12:08 21Kscripts for setting up umbrella sampling
[ ]g_count-gmx4.3.tar.bz224-Jun-2009 19:44 34Kg_count and g_flux
[ ]g_count-gmx4.4.tar.bz202-Jul-2009 17:05 35Kg_count and g_flux
[ ]g_count-gmx4.0-6.tar.bz203-Dec-2010 16:34 36Kg_count and g_flux
[ ]g_count-gmx4.2.tar.bz215-Jun-2009 16:50 37Kg_count and g_flux
[ ]g_count-0.2.tar.bz214-Jan-2008 15:27 41Kg_count and g_flux
[ ]g_count-0.3.tar.bz219-Jan-2009 16:32 41Kg_count and g_flux
[ ]gridcount-1.0.1.tar.bz210-Jan-2006 12:08 41K3D density analysis
[ ]g_count-gmx4.5.tar.bz222-Jul-2009 16:32 47Kg_count and g_flux
[ ]gridcount-1.1.1.tar.gz16-May-2007 20:04 51K3D density analysis
[ ]gridcount-1.1.3.tar.gz08-May-2008 15:46 51K3D density analysis
[ ]gridcount-gmx4.0-1.1.tar.gz03-Mar-2010 18:26 57K3D density analysis
[ ]gridcount-gmx4.0-1.2.tar.gz05-Aug-2010 16:53 57K3D density analysis
[ ]gridcount-gmx4.0-1.3a.tar.gz03-Dec-2010 14:45 58K3D density analysis
[ ]gridcount-gmx4.0-1.0.tar.gz18-Feb-2010 23:59 63K3D density analysis
[ ]g_count-0.1.tar.bz210-Jan-2006 12:08 88Kg_count and g_flux
[ ]thesis_analysiscode.pdf10-Jan-2006 12:08 557KDocumentation for analysis code
[ ]PMFtutorial-0.1.tar.bz210-Jan-2006 12:08 6.8M 
[ ]g_diff.tar.bz215-Feb-2006 18:46 8.2M 

With the exception of gmx_rescue64 all code is made available under the GNU Public License. Please see the the files README and INSTALL where available. Also check the Gromacs mailinglist archives.

NO WARRANTY. This stuff works for me but your mileage may vary.

This said, I try to help with problems. Direct feedback to oliver@biop.ox.ac.uk, quoting version numbers and as much detail as possible. Have a look at the excellent How to report bugs effectively (yes, it's long; skip to the Summary at the end if in a hurry) and How to ask questions the smart way. Thanks!

Last modified: 2004-12-21 04:36:45+0000 by Oliver Beckstein