look at the manual and tutorials on how to make an frcmod file.
On 6/10/11 7:08 PM, Matias Factorovich wrote:
>
> Dear Amber users
>
> I want to run an MD of one atom of argon in a box of water, but I've come up up with a problem
> Amber does not has parametrized the Argon, so I cannot make amber recognize the atom to generate the topology file, I have the Lennard-Jones parameter, but how can I add this new atom to the amber library?
>
> thank you
> Matias
>
>
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Dr. Adrian E. Roitberg
Associate Professor
Quantum Theory Project, Department of Chemistry
University of Florida
on Sabbatical in Barcelona until August 2011.
Email roitberg.ufl.edu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jun 10 2011 - 10:30:04 PDT
