Hi Justin Thanks for your answer. Actually, you are right and that is what I am doing now, but it is really time consuming and it is like double calculating because the potential energy is computed during the MD.
Any way thanks.... John Michael -- View this message in context: http://gromacs.5086.x6.nabble.com/About-Potential-energy-calculation-tp5007982p5007984.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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
