Hi, is there a smart way to build the topology (topol.top) for a branched polymer? In this case I try to build Lignin. The problem is that I need to apply a patch to each monomer depending on the connection and (as far as I understand) the termini databases are only applied to the end of a chain. Also I think the termini database is the only watch to apply a patch in the sense of changing charges. Any recommendation for a good tool or a way to do it with pdb2gmx would be very helpful. I have a psf topology. Has someone a script to convert a psf topology to a gromacs topology?
Thanks Roland -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
