[gmx-users] Construction of silver nanoparticles
jalemkul at vt.edu
Tue Oct 13 15:51:53 CEST 2015
On 10/13/15 9:45 AM, SAPNA BORAH wrote:
> Thank you Justin.
> I have mailed some authors.
> Is there any way or tool present in gromacs to construct nano particles?
No, GROMACS has no molecule building/editing capability. You can build a
topology, probably using x2top, but this is not always straightforward depending
on the structure itself.
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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