[gmx-users] Freeze a group of atoms in gromacs
jalemkul at vt.edu
Tue Feb 7 16:54:40 CET 2017
On 2/7/17 10:17 AM, ARNAB MUKHERJEE wrote:
> I am simulating a course grained DNA with counterions. I want to know if
> there is a way in gromacs to freeze all the degrees of freedom of DNA, so
> as to completely restrict its motion. So, the DNA in my system will be
> fixed while the ions will be moving. How can I achieve this in gromacs?
Freezing atoms can be done using the conveniently named freezegrps option:
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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