On Wed, Jul 12, 2023, Riran via AMBER wrote:
>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 ".
You need to examine the "heat.out" file, which is where any error messages
would likley appear. You may need to run short simulations with ntpr=1 to
get more details about what is going on.
.....dac
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Received on Thu Jul 13 2023 - 08:30:02 PDT
