Hi Everyone, I'm very interested in using a set of recently derived AMBER heme topologies within GROMACS to perform MD simulation on P450 enzymes.
Specifically I would like to use parameters found here https://gist.github.com/anonymous/995efe4d44c6cf0584ef After trying to use topolbuild1.3, found on the GROMACS website I was unable to successfully make the installation (using Ubuntu 12.04). While no errors occurred during the make process trying to use topolbuild results in 'topolbuild: command not found' within the same folder as the previously built file. If anyone has any insight into how to convert these AMBER topologies into GROMACS compatible .itp .gro files I would be extremely grateful. Best, Parker -- 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
