Remark: if I change that dihedral with -CH CH2 CH CB gd_17,
that it gives again 2 9 10 11 , but this time with gd_17, as it should do. But why it does not work with the other definition? Does it have to do with the fact that in the dihedral I have atoms belonging to 3 residues? And are the 2 definitions (with +CH2 and CB at the end) equivalent, taking in acount that we define also an improper of type gi_2 around the CH atom? Cheers, Andrea _______________________________________________ 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
