Hey everyone, If I ran my simulations with periodic boundary conditions, is there a way in Gromacs to get a trajectory file tracking the diffusion of the molecules in the first time frame (i.e. not allow them to exit one side of the box and reenter the other side)?
If not, can I specify this in the run parameters before doing the simulation? Thanks! Jon -- 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
