I have a further question about tabulated non-bonded potentials. The manual (6.7.2) says: "It is also possible to combine a standard Coulomb with a modified LJ potential... The table file must always contain the 7 columns however, and meaningful data (i.e. not zeroes) must be entered in all columns".
What's wrong with the zeroes? Is any other number valid (e.g. a column of 1's?) What kind of "meaningful data" am I going to put in, if I will not use them? Thanks! m. -- 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/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/mailing_lists/users.php
