jalemkul at vt.edu
Sat Mar 9 22:57:41 CET 2019
On 3/9/19 12:23 PM, Stefano Guglielmo wrote:
> Dear gromacs users,
> I have a system with a topology generated from Amber and then converted
> through ParmEd into gromacs-formatted stuff. I would like to add distance
> restraints for several pairs of atoms (ca 20). Is it possible to add them
> with grompp or should I edit the .top file some way?
Distance restraints need to be defined in the topology.
Justin A. Lemkul, Ph.D.
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