On 10/9/13 7:54 AM, rajat desikan wrote:
Thank you, Justin.
I am particularly interested in the lipid simulations. Can you upload the
final results on dropbox? Sorry for the trouble...I intend to simulate a
membrane-protein system using charmm36. I will let you know how that goes.
I will send you some sample data directly. The outcomes we achieved are
equivalent to, or better than, the agreement between CHARMM and GROMACS in the
CHARMM27 release that is currently supplied with GROMACS.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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