Hi all, As quite a few people have done before, I am about to try and convert a CHARMM topology into a GROMACS one. To that effect, I will probably need one or several programs that will do part of the job. When these are done, I suppose they might be of interest to others on this list.
Since I am not keen on the idea of reinventing the wheel, I would like to know if there is an existing base I can build on. Have you guys been doing something of the sort? Using what tools? A side question: does is sound reasonable to emulate Urey-Bradley angle potentials by adding an extra "bond" term? Best, Jerome _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
