Hi all I want to run a simulation of one tert-pentane molecule inside one organic cage molecule. I have the topology files for both molecules but obviously I only need one .top file as the input for grompp. What is the most convenient way of having both topologies in one file?
Many Thanks Gavin -- 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
