Hi guys, A stupid question: I got myself confused with this shuffling/deshuffling thing, which I shouldn't have been doing with protein in the first place. So this are my steps, done on the same 4 nodes, please tell me whether I was supposed to do any deshuffling of .trr and .gro files, and following which steps: 1)minimization, supplied output .gro to the next step 2)equilibration, supplied output .gro to the next step 3) NVT run, supplied output .gro and .trr to the next step 4) NPT run
A simple YES or NO for each step will suffice. Thanks, Frankie _______________________________________________ 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
