Minutes 2017 11 27

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Oliver Beckstein edited this page Nov 28, 2017 · 2 revisions

Quick summary of the skype discussion on 2017-11-27:

summary of the latest updates

Amber TI reader (#10)
fixes/changes to subsampling with statistical inefficiency (#39)
Shirt group started work on Gromacs extended ensemble data set alchemtest #4 (pending PR #16 in alchemtest) and parser #14).
Minutes are being posted and all are ok with this.

next steps

Mobley group will look into NAMD parser #7 (either with dataset from Shirt group collaborator – need to check licensing – or generated data, alchemtest #17)
STX group will work on Amber FEP/MBAR "u_nk" parser #42