[gmx-users] Construction of silver nanoparticles

Justin Lemkul 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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