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(parent: 4b3f138) | patch
Fix the FEP lambda interpolation
authorChristian Blau <cblau.mail@gmail.com>
Thu, 1 Oct 2020 11:52:26 +0000 (11:52 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Thu, 1 Oct 2020 11:52:26 +0000 (11:52 +0000)
commit4555ffbeb193da3c127b5a2ac8e852ce5967e393
tree6d722f299b569464fd43bcc7f6bea2f0145eb791tree | snapshot
parent4b3f1386cae66f94bddb5f14287b9080eceab2fbcommit | diff
Fix the FEP lambda interpolation

Setting any lambda array, initial lambda or state != 0, the
interpolated lambda values were wrongly interpolated. This
patch fixes this behaviour.
src/gromacs/mdlib/md_support.cpp diff | blob | history
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