Hello I'm trying to minimize a protein with the a part of it frozen. I was wondering if it is at all possible to extract bonded energy terms for the non-frozen region.
I can extract the coulombic and LJ energy terms but not the bond, angle and proper dih ones... Any suggestions? Thanks a lot George _______________________________________________ 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
