[gmx-users] carbon nanotube - ifnite in length ?

Justin Lemkul jalemkul at vt.edu
Thu Oct 10 15:55:03 CEST 2013

On 10/10/13 9:53 AM, Steven Neumann wrote:
> Thank you. Would both be equal in terms of gaining computational time?

No idea.  You definitely would not gain anything from using the [nonbond_params] 
approach.  Maybe with exclusions.



Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


More information about the gromacs.org_gmx-users mailing list