Hi AMBER Users!
I'm currently running a step 1000 energy minimization, using steepest
descent on a system comprised of 54782 atoms on a single Tesla K20 card,
and the entire process seems very slow compared to the same setup in
GROMACS. .rst provided here which contains settings and timings etc:
https://gist.github.com/ParkerdeWaal/7c6c01c2b00327033e76
If anyone can provide insight I would be extremely grateful.
Best,
Parker
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Received on Sat Jul 06 2013 - 22:30:03 PDT
