[gmx-users] Ligand breaks during energy minimization
jalemkul at vt.edu
Fri Mar 25 14:35:07 CET 2016
On 3/25/16 9:33 AM, Nikhil Maroli wrote:
> Dear justin,
> if the topology is bad how bonds will break in MD? am i missing anything
The bonds don't break. The OP was presumably using some imprecise language to
describe a badly distorted structure.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
More information about the gromacs.org_gmx-users