Dear GMX-users, I would like to turn off only the Lennerd-Jones interaction for a particular pair of atoms, while maintaining the electrostatic interaction. For example, the system consist of A, B, and C atoms. All of them have charge. I would like to turn off the Lennard-Jones self-interaction for A atoms (A-A LJ interaction). Do you have any idea to implement this?
Best, Jae H. Park -- 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
