Positive values of potential energy and I am in vacuo. Mishelle
Sent from my Samsung device -------- Original message -------- From: Justin Lemkul <jalem...@vt.edu> Date: 11/03/2016 08:43 (GMT-05:00) To: gmx-us...@gromacs.org Subject: Re: [gmx-users] Energy Minimization On 11/2/16 9:40 PM, Mishelle Oña wrote: > Hello > > I have a question about energy minimization tool. I am modelling a polymer > and I use a force field I have developed. I have run a EM and got positive > values. Can you help me with this? > Positive values for what? Are you in vacuo or in solvent? -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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
