Tsjerk Wassenaar tsjerkw at gmail.com
Tue Apr 17 10:23:54 CEST 2007

Hi Subhrangshu,

See chapter 5 of the manual.

Something like:

#include "ffforcefieldofyourchoice.itp"

#include "ions.itp"

[ system ]
A single Fe

[ molecules ]
FE  1


On 4/17/07, Subhrangshu Supakar <ssupakar at gmail.com> wrote:
> Hi ! can anyone help?
> how can I generate a topology file a single atom "Fe" for use in gromacs.
> Thanks in advance,
> --Subhrangshu
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623

More information about the gromacs.org_gmx-users mailing list