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Revisions №56895

branch: master 「№56895」
Commited by: sarel
GitHub commit link: 「582b3b9373b26c9f」
Difference from previous tested commit:  code diff
Commit date: 2014-05-31 06:27:08

Adding option extreme_value_removal to DdgFilter. If set to true and repeats>=3 then in computing the average of several repeats the filter will remove the values at the bottom and top. For instance, if repeats=5, 5 evaluations will take place but only the 3 values at the middle will be used to compute the average. This should reduce the sometimes quite significant extreme values observed when 1000s of ddG evaluations are made in a single trajectory. Log change expected in ddG using integration tests. See wiki for details.

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