Core-Shell potential...

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Peter Eastman
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Re: Core-Shell potential...

Post by Peter Eastman » Tue Feb 28, 2012 11:17 am

Which platform are you using? If it's CUDA, then yes, custom forces are much slower than standard ones. If it's OpenCL then no, there should be very little difference in performance between standard and custom forces.

Peter
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