[gmx-users] GTP in topology

Justin A. Lemkul jalemkul at vt.edu
Thu Apr 17 12:16:41 CEST 2008

Quoting s lal badshah <shahbiochemist at yahoo.com>:

> Hi All,
> I have taken the GTP topology from PRODRG server but now how can I make a
> connection with my original topology file: As in Errors of Gromacs it is
> mentioned
> ==> find a topology file for the residue / molecule and include as a .itp
> file,
> what does it means? I am using OPLS/aa force field.

You do realize, of course, that the PRODRG output is for use with a Gromos-based
force field, right?  Which one will depend on which version of the server you


> Regards,
> Lal badshah.
> M.Phil Scholar
> NCE in Physical Chemistry,
> University of Peshawar.
> NWFP,Pakistan.
> Cell # 03349060632.
>  Send instant messages to your online friends http://uk.messenger.yahoo.com


Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list