Hi After pdb2gmx I got two [ dihedrals ] sections in the topology file.
[ dihedrals ] ai aj ak al funct c0 c1 c2 c3 c4 c5 2 1 19 8 5 6 8 9 10 5 6 8 19 1 5 [ dihedrals ] ai aj ak al funct c0 c1 c2 c3 1 8 6 4 2 180 100 1 2 4 5 2 180 100 1 10 11 13 2 180 100 Why is pdb2gmx doing this? I commented the first block out. Is this allowed? Greetings Lara -- 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
