Hi After pdb2gmx I have two [ dihedrals ] sections in my topology. The first block is empty, the second block is correct with my parameters.
An an example: First block: [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 c4 c5 2 1 19 8 5 6 8 9 10 5 Second block: [ dihedrals ] ; ai aj ak al funct c0 c1 c2 c3 1 8 6 4 5 180 100 1 2 4 5 5 180 100 What could be the reason for this? What do I have to change in my force field folder (CHARMM27) to fix this? In my .rtp file in the force field folder I have only this section for dihedrals [ impropers ] O4 N1 C2 N3 180 100 N1 C2 N3 H3 180 100 I declared my [ bondedtypes ] as the following: [ bondedtypes ] ; bonds angles dihedrals impropers 1 1 5 5 Thanks for help Greetings -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
