[gmx-users] Requesting help on converting a CG (coarse grained) trajectory to a FG (fine grained) trajectory
Justin Lemkul
jalemkul at vt.edu
Wed Jul 2 17:57:10 CEST 2014
On 7/2/14, 11:48 AM, Yip Yew Mun wrote:
> Hi all,
>
> I have just ran a CG MD with the Martini force field, and I was wondering if it’s possible to transform this CG trajectory back to a FG trajectory? If it’s possible, are there any available tutorials I can follow? If not, please guide me on the commands and modules required to execute this action.
>
http://md.chem.rug.nl/cgmartini/index.php/others#Reverse-transformation
-Justin
--
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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
http://mackerell.umaryland.edu/~jalemkul
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