[gmx-users] Re: gmx-users Digest, Vol 89, Issue 166

Ravi Kumar Venkatraman ravikumarvenkatraman at gmail.com
Thu Sep 29 13:20:13 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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