Hi everyone, I want to calculate free energy between protein and ligand by "g_lie" command. So the average Coulomb interaction and average Lennard-Jones interaction of ligand-solvent are need. But I do not know if average Coulomb interaction is the result of "Coul-SR" plus "Coul-14", which are calculated by "g_energy" command, and also if Lennard-Jones interaction is the result of "LJ-SR" plus "LJ-LR" plus "LJ-14". Hence I hope anyone who know about them may help me kindly.
Thank you! -- Lu Shuai
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
