jalemkul at vt.edu
Thu Sep 29 16:55:50 CEST 2016
On 9/29/16 10:53 AM, ÁLVARO RODRIGO RUIZ FERNÁNDEZ wrote:
> Dear gromacs users:
> How I can multiply a box full of molecules from 1x1 to 2x2 ?, I know I can
> use Avogadro but in this case it does not work, I think for the
> periodic boundary
> conditions. Thank you very much
gmx geconf -nbox x y z, where x y and z are the number of replicate boxes in
each spatial dimension.
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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