Dear All, We are running some simulations using an anisotropic periodic cell. We are getting 'cell runaway' with the cell becoming very long and thin. This appears to being driven by the electrostatics of the system. The simulation then dies because the smallest cell dimension is less than 2*cutoff.
Is there a way that we can apply some constraints to the periodic cell? Regards David ____________________________________________________________________________ David Chalmers Lab: 9903 9110 Senior Lecturer Fax: 9903 9582 Faculty of Pharmacy and Pharmaceutical Sciences Monash University 381 Royal Pde, Parkville, Vic 3053. Australia ____________________________________________________________________________ -- 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/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/mailing_lists/users.php
