intelandamd wrote: > Dear > I want to know whether I can use different functions in a molecule > without making extra code.For example in a methanol molecule,I want to > use Harmonic potential for C-H bond and use Morse pontential for C-OH > bond. Besides,in user specified potential functions,I want to know > whether I can use different potential functions without extra code.Thank > you.
Yes. Read chapter 5 of the manual. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
