[gmx-users] CHARMM force field - contribution???
Nevena Todorova
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
greatly welcomed.
Thanks
Nevena
More information about the gromacs.org_gmx-users
mailing list