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Re: OpenMM 5.0 beta
Posted: Tue Jan 08, 2013 7:37 pm
by mgarraha
The attached patch adds a testArgonBox function to each of four variable timestep integrator tests. It passes with r3565 but fails with r3564 under the conditions Prof. Brooks
described on Jan 7.
Re: OpenMM 5.0 beta
Posted: Thu Jan 10, 2013 11:50 am
by peastman
Thanks! I've just checked them in.
Peter
Re: OpenMM 5.0 beta
Posted: Thu Jan 10, 2013 12:30 pm
by mgarraha
Aha, I see the new Context::setVelocitiesToTemperature. That's worth mentioning in the release notes.