[gmx-users] Protein preparation in Membrane simulation

Justin Lemkul jalemkul at vt.edu
Thu May 8 15:45:52 CEST 2014

On 5/8/14, 9:00 AM, Balasubramanian Suriyanarayanan wrote:
> Dear all
> When doing membrane simulation, do protein needs to be prepared in "Xleap
> module in Amber" as given in tutorials (Bevans Lab).

No.  That was just the method I used to build that particular model peptide. 
It's not a general rule or requirement.



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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