[gmx-users] calculate the ∆SASA for free energy calculation

Justin Lemkul jalemkul at vt.edu
Mon Aug 25 18:46:58 CEST 2014

On 8/25/14, 10:10 AM, Mahboobeh Eslami wrote:
> dear justin
> Thank you for your guidance.
> I've done it. When I use the g_sas command, and asked me the following question:
> "Select a group for calculation of surface and a group for output"
> I do not know what groups should be selected.

Read the help description.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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