Dear all, I have a question about internal bond interactions within a molecule.
I understand that 1-4 interactions can be scaled with "nbfunc". But I wonder: 1. What is the default for 1-5 and larger interactions in Gromacs? Are the LJ and charge interactions included (i.e., not scaled)? I'm specifically interested in reproducing OPLS United-Atom molecules from Jorgensen's 1986 OPLS paper. He doesn't mention anything about scaling in that paper though so I guess he's not doing any scaling of any inner-molecule interactions at all (please someone correct me if this is obviously wrong). 2. Is there any way to scale the 1-5+ interactions in Gromacs? Thanks in advance! I appreciate any help. Tom -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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