[gmx-users] Reg g_energy tool

[Justin Lemkul]

On 3/30/15 9:37 AM, vidhya sankar wrote:
> Thank you justin  for your kind reply.
> As you told me in previous mail , the   g_energy  tool  is enough  to calculate interacton energy  (such as Coulombic and Vandeewaal's interaction , LJ interaction )  between groups
> but How to choose two groups simulataneously in command prompt
> for example if i want to calculate LJ-(SR)  interaction energy between CNT and peptide1
> How to choose these two groups.

Have you actually tried running g_energy yet?  It should be readily apparent 
what everything is.

-Justin

-- 
==================================================

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

==================================================