On Mon, Jul 16, 2007, Jordi Camps wrote:
>
> I'm trying to run a MD simulation of a big system, and I'm getting some
> trouble with Amber 9.
> When I run the simulacion with sander (MPI version), the program crashes
> after a few steps wthout giving further information.
It's weird that it "crashes after a few steps". Try a short run (10 steps)
and set ntpr=1. Look at the behavior of the energies to see if something
points to the problem. Have you minimized the initial coordinates? Have you
run this system before (i.e, is this a restart of the previously successful
MD run, or is this the first one?)
....dac
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Received on Wed Jul 18 2007 - 06:07:36 PDT
