CUDA PME with triclinic boxes using OpenMM 6.3.1

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Mark Williamson
Posts: 31
Joined: Tue Feb 10, 2009 5:06 pm

CUDA PME with triclinic boxes using OpenMM 6.3.1

Post by Mark Williamson » Tue Jan 10, 2017 8:13 am

Dear OpenMM Devs,

Just a quick clarification. Given Fixed bug in PME with triclinic boxes #1487, I assume that one should be using OpenMM 7.0.1 and that OpenMM 6.3.1 still has this issue?

Many thanks,

Mark

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Peter Eastman
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Joined: Thu Aug 09, 2007 1:25 pm

Re: CUDA PME with triclinic boxes using OpenMM 6.3.1

Post by Peter Eastman » Tue Jan 10, 2017 10:36 am

Correct.

Peter

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