Dear GROMACS users: I'd like to change the functional form for the position restraints potential from the standard harmonic form to a non-harmonic form, e.g., 4-th in the positional deviations, to be effective only in the case for the large deviations. Could you kindly points me about which routines to modify the functional form for the position restraints potential and the corresponding force? Sorry if it was FAQ.
Regards. Makoto Yoneya, Dr. AIST, Tsukuba JAPAN _______________________________________________ gmx-users mailing list [email protected] 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
