On Thu, Oct 28, 2004, Vincent Bisetty wrote:
> I am experiencing problems with the restart of the MD simulation
> It seems like the box info is not being read?
>
> Here is the input file:
>
> equilibration at 300 K using PME
> "out16900a17000ps.out" 47 lines, 2772 characters <== is this really in
the output file?
> /
> &ewald
> skinnb = 1.0,
> /
>
>
>
> --------------------------------------------------------------------------------
> 1. RESOURCE USE:
> --------------------------------------------------------------------------------
>
> | Flags: SGIFFT MPI
> getting new box info from bottom of inpcrd <== this is a normal line
it does not indicate
a problem
>
You error may be something different than you think. The line about getting
box information is expected (you should see that in all of your simulations,
I think).
More investigation will probably be necessary to figure out what is happening.
....good luck...dac
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Received on Thu Oct 28 2004 - 15:53:01 PDT
