[gmx-users] CHARMM force field - contribution???
nevena.todorova at rmit.edu.au
Fri May 19 04:56:40 CEST 2006
Hi there everybody,
I have noticed in some previous mailings a discussion of implementation
of the CHARMMxx forcefield in GROMACS.
I am interested in doing this so myself. Mark Abraham mentioned a Perl
script which will do the formatting of the topology file in the
required format by GROMACS, so I was wondering if this has been posted,
or placed somewhere???
Also, if there is another "better structured/written" CHARMM package
for implementation into GROMACS, then the one that is on the old
website, please let me know. Any suggestions and guidance will be
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