On Tue, Aug 06, 2013, Scott Le Grand wrote:
> This why the Monte Carlo Barostat is crucial... I can't do much more for
> traditional NTP - it needs more 64-bit oomph than NVE, twice as much in
> fact, and that really hits consumeer GK104 and GK110 GPUs.
Anyone know where we stand on this? Is the MC barostat running on the CPU
pmemd code? (or in sander)?
...thx...dac
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Received on Tue Aug 06 2013 - 19:00:02 PDT
