Hi Justin, here are the relevant parts, as pdf files. I miss a dihedral between the atoms 2, 9, 10 and 17, which corresponds to the -CH CH2 CH +CH2 dihedral in the PS residue in the RTP entry.
For the trimer I should have 26 dihedrals, but in the TOP file I get only 25 (I mean only the proper dihedrals, the impropers are OK). Thanks for your help. Andrea
RTP.pdf
Description: Adobe PDF document
TrimerTOP.pdf
Description: Adobe PDF document
_______________________________________________ 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
