Dear Gmx Users, I want to obtain average Protein-Ligand SR electrostatics and LJ energy values using g_energy from NPT equlibration with position restraints. I used energygrps = Protein LIG
However, when I run g_energy -f npt.edr -s npt.tpr I see neither Protein-LIG for any of them. Would you please advise? Steven -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
