Dear Amber users,
I have recently started using pmemd.cuda.MPI (Amber 14) for carrying out MD
simulations. I have noticed in the .out file that a caution message has
appeared about the CUDA version of PMEMD. It says...
CAUTION: The CUDA code is currently experimental.
You use it at your own risk. Be sure to
check ALL results carefully.
I just wonder how should I make sure the iterations are going fine?.
Precisely, what all results I should check to make sure the simulation goes
on the right direction?
Many thanks in advance
Anu
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Received on Fri Feb 26 2016 - 03:30:05 PST
