[gmx-users] Diferent Pressure Solvent
jalemkul at vt.edu
Wed May 28 01:27:36 CEST 2014
On 5/27/14, 6:52 PM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
> Hi Dear Gromacs Users
> I was wondering if i want to simulate a SWCNT with water inside, it
> possible , to run an MD with the inside water with a diffent pressure (2
> Bar) , and the outside water and CNT a 1 bar?,
> It is ok to use an index file, and use different pressure values with the
> barostat i think this cant be done,
> How could i done this?
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
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