[gmx-users] g_energy help

Justin Lemkul jalemkul at vt.edu
Thu Jul 10 18:53:55 CEST 2014

On 7/10/14, 12:16 PM, ANDRES ADOLFO ORTEGA GUERRERO wrote:
> Hi dear Gromacs User , i was wondering if one of you could help me with
> something
> i use genergygroups to  molecules of my system CNT PROTEIN
> so when i use g_energy i can see two types of interaction like Coulomb and
> LJ,
> What does mean CNT-CNT and CNT-rest interaction? or PROTEIN-PROTEIN,
> PROTEIN-rest ??

CNT-CNT = nonbonded interactions within CNT
CNT-Rest = nonbonded interactions between CNT and everything else in the system



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA 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