drrahulsuresh at gmail.com
Mon Sep 18 18:39:58 CEST 2017
I receive the following note while doing NVT & NPT.
What does it exactly mean?
I am using charmm36 ff and as per documentation it is necessary to ahve cut
off as 1.2. How can I overcome this note.?
NOTE: The GPU has >20% more load than the CPU. This imbalance causes
performance loss, consider using a shorter cut-off and a finer PME
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