.Daniel
He needs to reweight first since he did accelerated MD.
.shengwang.hust.edu.cn
Once you have the projections of your trajectory on PC1 and PC2 use
PyReweighting-2D.py script to reweight and make the histogram:
http://mccammon.ucsd.edu/computing/amdReweighting/
And next time please don't forward the mailing list digest with every new
thread you initiate.
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Received on Sat Jan 03 2015 - 03:00:03 PST
