[gmx-users] Simulating protein peptide complex
jalemkul at vt.edu
Tue May 13 13:54:07 CEST 2014
On 5/13/14, 4:30 AM, Ruben Cloete wrote:
> Hi, Justin regarding protein peptide simulation do i prepare the peptide as i
> would a ligand (PRODRG) and add topology to .gro file?
No, just run it through pdb2gmx.
> Is there a tutorial for protein protein simulation?
No, because it's not really different from any other protein-in-water system.
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
More information about the gromacs.org_gmx-users