Hello, I'm hoping to get some tips on removing protein rotation inside a triclinic water box. Apologies if this has been covered recently, but the most recent discussion I've been able to track down is a thread from 2003 which stated a patch was available to prevent such rotations and an algorithm would be formally implemented into GROMACS "in the near future" (Tsjerk Wassenaar t.a.wassenaar at chem.rug.nl Tue May 20 13:52:00 CEST 2003). Has the implementation occurred? If I use comm-grps = Protein and comm-mode = angular? Of course I'm in the process of trying it, but thought some kind person from the Gromacs community might be able to save me some time if it is going to fail. Thanks in advance.
Tony Anthony A. Armstrong Department of Biophysics and Biophysical Chemistry Johns Hopkins University School of Medicine 725 North Wolfe Street Baltimore, MD 21205 410-955-8715 410-955-0637 FAX [EMAIL PROTECTED] _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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
