[gmx-users] Regarding OPLSAA

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Thu Sep 29 13:21:01 CEST 2011

Dear All,
>              I am using OPLSAA forcefield for generating methanol solvent
> box. The methanol.pdb/methnaol216.gro that is available in XXXX/tutor
> directory of gromacs is for united atom. Please tell me where I can get the
> methanol coordinates for All Atom. Can I use *.gro file that can be got from
> PRODRG server.
> Thank you.
> Yours Sincerely,
> Ravi Kumar Venkatraman,
> Ph.D., IPC Dept.,
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