I just derived the conversion of the dihedral constants from OPLSAA to RB and I get a set of equations different from the ones printed in the manual (3.3, p 56).
C1 = V1 / 2 - 3 V3 / 2 C3 = 2 V3 These are the negative of what is printed in the manual. The rest are the same. I'd like to know if what I did was correct. I can send the mathematica file to those interested in the derivation. Gil Claudio University of Asia and the Pacific __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ 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
