[gmx-users] Creating box,
bpa3n3 at mst.edu
Wed Feb 4 02:43:12 CET 2015
Thank you very much for your suggestion.
On Tue, Feb 3, 2015 at 7:35 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 2/3/15 8:32 PM, Bishnu Acharya wrote:
>> Dear Gromacs User,
>> I am new in Gromacs. I want to create rectangular box like dimensions 5.0
>> 5.0 15.0 and want to put nonane-water-nonane on it. I mean there layers
>> first nonane and water and again nonane layers.
> There aren't two nonane layers, because the nonane is continuous via PBC.
> So really you just have a simple biphasic system. Conveniently, there's a
> tutorial that illustrates how to do that:
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 629
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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