[gmx-users] Generate the water box

Justin Lemkul jalemkul at vt.edu
Wed May 20 18:50:07 CEST 2015



On 5/20/15 11:55 AM, 姚懿 wrote:
> genbox without adding a protein.
>

More specifically (and for 5.0):

gmx solvate -cs water.gro -box (whatever size is needed)

-Justin

> On Wed, May 20, 2015 at 9:56 AM, Vy Phan <phanvy120690 at gmail.com> wrote:
>
>> Dear Gromacs Users,
>>
>> Can I generate only water on the Gromacs? I need water box only.
>>
>> Thank you
>> Tuong Vy
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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 629
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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