> Dear all, > > I have made MD simulations of fullerene derivatives using Tripos FF, for > short simulation time. I would like to extend these simulations using > faster program GROMACS. > > Is there any way to convert Tripos FF and structure files to gromacs > *.itp, and *.pdb files, respectively? (I tried to convert pdb file to > gmx *.itp and *.pdb files using PRODRG, but it failed).
I am not aware of an automated tool for this, and would not expect one to exist. In any case, generating an .itp file by hand for a structure like fullerene would take at most an hour for an experienced user. Choosing a force field is a literature-search issue you need to address. Mark _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
