What is your input file? Typically the ones that got me into this kind of
trouble had to do with setting incompatible parameters for periodic
simulations. Also, is this sander.MPI or sander?
All the best,
Jason
On Thu, Aug 26, 2010 at 7:34 AM, case <case.biomaps.rutgers.edu> wrote:
> On Thu, Aug 26, 2010, setyanto tri wahyudi wrote:
> >
> > Here is the exact output of mdout file.
> > -------------------------------------------------------
> > Amber 10 SANDER 2008
> > -------------------------------------------------------
> >
> > This output not change after several minutes. It looks like the computer
> > hang.
> > Do you have any suggest ?
>
> Sure: start from a set of input files that works (say with a very short
> run,
> with one step of minimization). Then start to morph the working inputs
> into
> to the ones that fail, looking for the change that causes the problem.
>
> ....dac
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Aug 26 2010 - 05:30:03 PDT
