Actually, I'd say they're not incorrect, but incomplete (well, for many systems). There's no mention of the correction terms George was asking about, only the self correction term is taken into account in those equations. But they're in the code allright, and a lot can be induced from the mdp parameters.
Jeroen >check the equations in the manual, they are correct (famous >last words...) > >David van der Spoel, Ph.D. _______________________________________________ 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
