Re: [gmx-users] Single point energy calculations

Hi, On Tue, Aug 25, 2015 at 6:30 AM soumadwip ghosh soumadwipgh...@gmail.com wrote: Hello all, I am trying to calculate the single point energies of my system (a nucleic acid and a nanoparticle) to ultimately estimate the E(interaction). I am following this paper.

Re: [gmx-users] Single point energy calculations

Thanks Mark. I will do it..:-) Regards, Soumadwip -- 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

[gmx-users] Single point energy calculations

Hello all, I am trying to calculate the single point energies of my system (a nucleic acid and a nanoparticle) to ultimately estimate the E(interaction). I am following this paper.