>>. Now it is clear that >> the sum of [ LJ-14 + LJ (SR) ] give the actual non bonded potentials. Thank >> you so much.
The answer actually depends on what you call "nonbonded potential". If you want to calculate e.g. the interaction energy between two molecules, then you should NOT include this term. -- Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept. Univ. Rochester, Rochester, New York 14627-0216 THE UNITED STATES OF AMERICA -- 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
