[gmx-users] UNABLE TO GENERATE TOPOLOGY

[Tsjerk Wassenaar]

Hi Subhrangshu,

See chapter 5 of the manual.

Something like:

#include "ffforcefieldofyourchoice.itp"

#include "ions.itp"

[ system ]
A single Fe

[ molecules ]
FE  1

----
Best,

Tsjerk
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
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-- 
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