Hi Riran,
I think we'll need a little more context to help here. Is this run locally
or on an HPC system, are any output or error messages generated, does it
always happen with the same job or randomly, etc.
Kind Regards,
Thomas
On Wed, Jul 12, 2023 at 5:34 AM Riran via AMBER <amber.ambermd.org> wrote:
> Hi
> When I run sander to produce files, sometimes it stops halfway and
> executes commands like"$AMBERHOME/bin/sander -O -i heat.in -o heat.out -p
> ras1-raf1_solvated.prmtop -c min.rst -r heat.rst -x heat.mdcrd -ref
> min.rst", the system runs quickly and does not produce the files I
> need"heat.rst ".
> I would appreciate it if you could help me.
> Thanks
>
>
>
>
>
>
>
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--
*Dr. Thomas Steinbrecher*
Principal Scientist CADD
Roche Pharma Research and Early Development
Roche Innovation Center Basel
F. Hoffmann-La Roche Ltd
Bldg. 092/3.92
Grenzacherstrasse 124
4070 Basel
Switzerland
Phone +41 61 682 1319
mailto: thomas.steinbrecher.roche.com
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Received on Tue Jul 11 2023 - 23:30:02 PDT
