[gmx-users] forming disulfide linkage between two chains
jalemkul at vt.edu
Wed Aug 5 13:32:29 CEST 2015
On 8/5/15 3:52 AM, tasneem kausar wrote:
> I am trying to make disulfide linkage between chain A and B.
> The command line is "pdb2gmx -f prtn.pdb -o prtn.gro -p prtn.top -ss.
> I have used -ss option of pdb2gmx but disufide linkage is not formed
> between the chains A and B.
> What is the possible way to form the disulfide linkage in Gromacs usind the
You need to use the -merge option.
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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