Dear Gromacs Users, I'm looking for an easy way to relatively orient two large molecules (many rings with long CnH2n+1 tails): keep one fixed and translate and/or rotate the second one with respect to a given direction. The idea behind would be to fill up then the box with a solvent and run a position restrained MD.
Does anyone have an idea of a freeware to do that? Regards, Adama Adama Tandia Corning INC Corning, NY USA _______________________________________________ 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
