Hi, > You can post-process your trajectory using "trjconv -pbc mol -ur compact" to >see the real > representation.
The real representation is the infinite periodic system; there is no box shape there. For representation of a single unit cell you can take any cut that is consistent with the lattice, all being equally real. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Computational Chemist Medicinal Chemist Neuropharmacologist -- gmx-users mailing list [email protected] http://lists.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
