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BAT version 1.0
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@GHeinzelmann GHeinzelmann released this 04 Oct 15:44
· 118 commits to master since this release
v1.0
973f971

Uses absolute positional restraints for the protein and ligand, with three fixed dummy atoms. Performs calculations using the double decoupling (DD), simultaneous decoupling and recoupling (SDR) and attach-pull-release (APR) methods.

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