Hi, all, I'm still confused about how to set up 1-4 interaction tables for tabulated non-bonding potentials when using the -tablep option in mdrun. The specific question is:
How must I specify the 1-4 interaction in those tables? How many columns and with what? My primary goal is to set all the 1-4 interactions equal to zero. I have some 1-4 pairs that aren't involved in dihedrals, that means that setting up nrexcl = 3 and gen-pairs = no isn't enough Please, someone help me to understand. If you don't have the time, just copy/paste a table. Thank you very much. -- 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
