On 7/4/13 11:52 AM, Ayesha Fatima wrote:
Hi all, I am trying to simulate a protein complex of two protein with and a
ligand. I would like to learn from other's experience, how to prepare the
complex. do i prepare the protein components separately and then combine
the gro files?
No need. pdb2gmx deals with multiple chains just fine.
-Justin
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==================================================
Justin A. Lemkul, Ph.D.
Postdoctoral Associate
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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