Hi If we want to calculate the electrostatic potential of any component of a system do we add the Coul-14, Coul-SR values that we get with g_energy? What does each one of these terms represent exactly?
Another thing; Is there any way to define a subset of (e.g protein) atoms as an energy group so that the .edr file will contain all the energy components for this subset too? Thanks in advance. George _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
