Dear community, I'm trying to access the individual pairwise energies and forces in an MD simulation, but from looking at the source code, it looks like the individual pairwise energies and forces exist only in the inner-loops. I've been asking GROMACS to print the forces out to a file by modifying the inner-loops, but this is a serious hamper on performance. Does GROMACS store this information anywhere? Thanks in advance,
- Lee-Ping Wang _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
