[gmx-users] program crashed

Mark Abraham mark.abraham at anu.edu.au
Wed Jul 5 05:54:48 CEST 2006

> 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?


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