Okay, my mistake. Here's what each option gave me (all with -ur compact): -pbc whole: broken protein, rectangular box -pbc mol: intact protein, rectangular box, part of protein sticking outside the box -pbc atom: intact protein, dodecahedron box
> but -pbc mol -ur compact should give you a dodecahedron but with intact > molecules. Let me play around with it a little more before submitting the input files to bugzilla. Thank you. -Rob _________________________________________________________________ _______________________________________________ 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
