DocumentsDate added

patch to the demohot!

09.09.2005

Solaris\' csh has trouble with exclamation points at the end of strings; this patch removes the troublesome !\'s in the gromacs demo.
Uploaded 04:33 April 15, 2002 by Nathan Sharfi (nisharfi@csupomona.edu)

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modified g_chihot!

09.09.2005

contains fixes to rotamer multiplicities, transitions, occupancies, order params; allows the calculation of a \"cumulative rotamer\" for a whole sidechain
Uploaded 20:08 February 12, 2003 by Graham Smith (smithgr@cancer.org.uk)

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mdrun modified to make a hole in a lipid bilayerhot!

09.09.2005

A modified version of mdrun that can be used to make a hole in a lipid bilayer that is the right shape to drop in the membrane protein of your choice. It does this by reading a molecular surface file made by Grasp or MSMS. It can also make a cylindrical hole. Tar file contains documentation.
Uploaded 15:19 October 15, 2002 by Graham R. Smith (smithgr@cancer.org.uk)

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make_edi for gromacs 3.1.4hot!

09.09.2005

This patch against gromacs 3.1.4 includes a tool (make_edi) to generate ED sampling input (.edi) files based on g_covar (or g_nmeig) output. Additionally, the ED sampling module of mdrun has been extended to run in parallel (in the most common cases at least). See the README in the tar file for additional info.
Uploaded 13:42 April 02, 2003 by Oliver Lange (olange@gwdg.de)

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Improved genbox maxsol optionhot!

27.05.2008

This is a modification to the genbox program that improves the maxsol option, by first removing atoms that are at the edges of the box before going on to do any further removals using the existing methodology. See the README file for more.

            -Allen Smith, Ph.D.

            http://cesario.rutgers.edu/easmith/research/ 

Homepage: http://cesario.rutgers.edu/easmith/research/

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