> Why would you want periodic velocities? You don't have thos in crystals. > Anyaw genconf will do it without programming.
Good point - I lost track of the wood looking at the trees. My suggestion is necessary for doing a true periodic simulation with the same effective unit cell, but as you observe, that is not what is happening in reality. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users 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
