Hi,
Since version 2018, GROMACS supports the Accelerated Weight Histogram
method to accelerate sampling along reaction coordinates. With AWH
conformational transitions can be accelerated by orders of magnitude.
On Tuesday, September 24, from 15:00 we are organizing a free webinar on
the AWH method presented by the main developer Berk Hess.
At the end of the webinar we'll have a Q&A session during which you can
ask Berk questions directly.
More information about the webinar and how to join is here:
https://bioexcel.eu/webinar-accelerating-sampling-in-gromacs-with-the-awh-method-2019-09-24/
Cheers
Paul
--
Paul Bauer, PhD
GROMACS Release Manager
KTH Stockholm, SciLifeLab
0046737308594
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