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Feature #3371

Control FEP using AWH

Added by Magnus Lundborg 5 months ago.

Status:
New
Priority:
Normal
Category:
mdrun
Target version:
Difficulty:
uncategorized
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Description

Using FEP as one AWH bias coordinate makes it possible to efficiently perform free energy calculations and also to combine FEP with one or more pull coordinates in a multidimensional reaction coordinate.

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