On Wed, Jan 06, 2021, K Jan wrote:
>
>This is my sander code:
>
>sander -O -i md1.in -o md1KCL.out -inf md1KCL.inf -c lr16wKCL.k.minw2 -ref
>lr16wKCL.k.minw2 -r lr16wKCL.k.md1 -p lr16wKCL.k.top -x lr16wKCL.k.md1.x -e
>lr16wKCL.md1.ene &
>
>and the output files I get are:
>
>lr16wKCL.k.md1, md1KCL.inf and md1KCL.out
Look at your md1.in file: did you set the ntwx variable? The default is
not to create a trajectory file (ntwx=0), and it looks like this may what is
happening to you.
Run some short test trajectories to make sure you are getting the output
files you want.
....dac
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Received on Wed Jan 06 2021 - 07:00:02 PST
