Dear Amber users,
I recently tried to use Amber18 and 16 pmemd.cuda to run triplicated jobs, but I got exactly the same trajectory for all three trials(final coordinate file and output (energy, temperature, etc.) files are same ) with a different random seed for Amber18 and also get several same trajectories by using Amber16. I'm not sure if there any problems with the random seed or the installation on the cluster is wrong.
Any reply will be very grateful. Thank you!
With regards,
Jinfeng
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Received on Wed Sep 11 2019 - 08:00:02 PDT
