Hello, I'm sure there's a simple solution to this problem, so please bear with me... I'm attempting to generate an average structure from a trajectory and I'd like to have it pool two groups into the final structure. I work with a magnesium-coordinating integrase protein, so my groups are 1: protein, and 12: MG2+. Trying to average each then combine the two files won't work as the ions are re-centered in coordinate space after the averaging is done.
Thanks! Dave Crosby University of California, Irvine Dept of Pathology and Laboratory Medicine _______________________________________________ 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
