[gmx-users] Translational Pulling
jalemkul at vt.edu
Fri Apr 22 23:33:35 CEST 2016
On 4/22/16 5:29 PM, Ray Chao wrote:
> Hi, Justin,
> I also notice that in Lammps, you seem to be able to set up the force and
> velocity to frozen groups. Does Gromacs have similar features?
No. Frozen groups are frozen - they don't move, they don't have velocities,
etc. Maybe LAMMPS is referring to a frozen internal geometry? If something is
frozen in GROMACS, it's just that. It never moves and nothing gets updated.
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
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