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

[Justin Lemkul]

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

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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
http://mackerell.umaryland.edu/~jalemkul

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