Hello, I have a strange question with regard to set up of a FF for pdb2gmx for inorganic surfaces (or dendrimers).
So previously I used ClayFF (i.e. non-bonded FF) and written input for pdb2gmx - no problem there. Now I want to use the bonded FF. So I have a unitcell, a residue in what gromacs knows. In molecule.rtp I know that the bonds between residue before (say west) is '-' and residue after (east) is '+', but what with the bonds on other sides, like north and south? Is it even doable? Dendrimers are sort of same thing - they are connected in more than 2 directions... Thanks, V -- View this message in context: http://gromacs.5086.x6.nabble.com/generating-user-defined-topologies-for-surfaces-tp5010192.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
