>edvin.erdtman at nat.oru.se wrote: >> I installed both double and single precision gromacs on a new system. When >> running a membrane MD with double precision 8 processor mpi calc, this error >> appars in the error output file: > > >this usually means you have an unequilibrated system.
But it worked with single precision! Or do I need to make a energy minimization first in DP? ----------------------- Fil. Mag. Edvin Erdtman Biofysikalisk kemi Naturvetenskapliga instutitionen Fakultetsgatan 1 Örebro Universitet S-701 82 Örebro, Sweden Tel: +46 19 30 36 69 _______________________________________________ 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
