> Dear GMX users, > > After I edit vdwradii.dat and run genbox, my program still crashes when > I run position restrained MD with heating the system from 100K to 300K. > When I check the log file. I find the kinetic energy doubles (step 38880 > compare to step 38870, by the way, the re_t is the same in these two > steps) when the constraint problem starts to take place. Does anyone > know why KE doubles?
Have you visualized the trajectory to see where things start going wrong? Mark _______________________________________________ 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
