On Tue, Feb 19, 2013 at 9:54 AM, Charles Do <cdonssim.gmail.com> wrote:
> Dear Jason,
>
> Thank you for your comment. If I may, I'd ask one more question regarding
> your comment. You mentioned that I can ignore the bond types for the
> topology file. Does this mean that all the force field parameters will be
> correctly assigned and written in the topology file even without correct
> bond-type information ? (assuming that the atom types are correct).
>
Yes. All parameters are determined by atom types (you can verify this by
looking at the parm.dat files in $AMBERHOME/dat/leap/parm).
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Feb 19 2013 - 07:30:04 PST
