Just change the numbers at the bottom of the new file to match the old values.
As far as I can tell, there is no way to tell pdb2gmx or editconf to respect pbc and the result is that the box size expands or else molecules are removed. This is not so much of a problem for water boxes, but it can be a real pain when trying to convert a membrane from -ur rect to -ur dodecahedron (anyone know how to do that?) _______________________________________________ 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
