[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.,
> IISc, INDIA.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110929/e0e5fb42/attachment.html>


More information about the gromacs.org_gmx-users mailing list