> Dear All, > I am doing Energy minimization of a protein.The valus are fluctuating butI > don't know in how much time it will be completed and what are the signs > that show that it is running?
Use tail -f on the .log file to get some progress information. You can't estimate the run time of an unknown minimization problem, since the termination criterion depends on as-yet unknown features of the energy surface. Mark _______________________________________________ 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
