[gmx-users] rerun under non-bonded E. terms

Justin Lemkul jalemkul at vt.edu
Fri May 8 16:36:06 CEST 2015

On 5/8/15 10:25 AM, Albert Solernou wrote:
> Hi All,
> is there a way to do a re-run using only non-bonded energy terms?

Remove all bonded terms from the topology, re-create a .tpr, and re-run.



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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