[gmx-users] pulling of a molecule through protein-membrane system

Justin Lemkul jalemkul at vt.edu
Wed Aug 2 19:03:20 CEST 2017

On 8/2/17 1:16 AM, Alex Mathew wrote:
> Dear Justin,
> Well, Charmm-gui not providing an option to make a long box in one
> direction. So is it fine increasing the box and adding the water in
> Charmm-gui output pdb file and proceed?




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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