[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.,
IISc, INDIA.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110929/0bd929a1/attachment.html>
More information about the gromacs.org_gmx-users
mailing list