Hi all, I guess this is directed towards the developers. Thanks to David Mobley, I was able to determine that my free energy calculations were victim of a PME bug in version 3.3.1. In the Bugzilla, Berk commented that the issue had been resolved for the upcoming release of versions 3.3.3 and 4.0, so I'm guessing the issue remains in version 3.3.2? If so, is there a modification I can make to any source code files (either version 3.3.1 or 3.3.2) so I can re-compile, or should I just be patient and wait for version 3.3.3?
Thanks, Justin ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
