On Wed, Nov 03, 2021, mish wrote:
>
>I am running a simulation of a small system (~200 atoms) at NPT using Amber
>20 and RTX2080 cards.
What is your unit cell size? Your nonbonded cutoff? I'm surprised that you
can even run a system with only 200 atoms in Amber. It may be that you are
hitting a lower limit (after more than 100 ns!) that the code can't handle.
....dac
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Received on Wed Nov 03 2021 - 12:30:02 PDT
