Dear all, I am running a simulation on gromacs 3.3 using periodic boundary conditions in a triclinic box with anisotropic pressure coupling. Since the simulation box has suffered some deformations, it is not rectangular anymore. 1- I would like to know if it is possible to apply some transformations to the actual coordinates in order to obtain again a rectangular box. 2- I would also like to set a new center for the simulation box.
Thanks in advance Cesar _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
