On Tue, 2009-06-02 at 11:13 +0100, Stefano Meliga wrote: > The simulation seems just very slow. > step 0 has appeared on the screen after several minutes and in the log > file there's only step zero as well.
You have 43 000 atoms and are using Ewald summation which is O(N^2), so the simulation really is that slow. Switch to using coulombtype = PME, that should speed things up. -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto [email protected], p. 191 50632 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland [email protected] ------------------------------------------------------ _______________________________________________ gmx-users mailing list [email protected] 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
