Mark Abraham ha scritto: > ms wrote: >> Hi, >> >> I would like to understand a basic question about the usage of tabulated >> potential for non-bonded interaction. If I use an arbitrary function and >> I write a table for it, is the functional shape then applied to *all* my >> atoms, or can I specify which ones use the tabulated potential -and how? > > Use energygrp_table in the .mdp file. See manual section 7.3
*slap on my head* Thanks, I missed it. I was looking in the Chapters 4 and 5 and finding nothing I was confused. 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
