Hi All, I have an array of molecules above a grapehene sheet in my simulation. However, when I look at my trajectory file (.trr) in VMD the array of molecules is split into 4 sections with each section located at what looks to be the corners of the simulation box. And the graphene sheet does not stay stationary as it should, but rather jumps from corner to corner. I tried to resolve this problem by running the following command:
trjconv -f traj.trr -o trajout.trr -center -pbc nojump However, this did not resolve the problem. Is there something else I need to do to resolve this problem? Much thanks in advance. Darrell _______________________________________________ gmx-users mailing list [email protected] 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
