expanded_internal.h File Reference

#include "gromacs/utility/real.h"

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Description

Declares internal functionality for expanded ensemble.

This file is only used by expanded.cpp and tests/expanded.cpp.

Author

Pascal Merz pasca.nosp@m.l.me.nosp@m.rz@me.nosp@m..com

Michael Shirts micha.nosp@m.el.s.nosp@m.hirts.nosp@m.@col.nosp@m.orado.nosp@m..edu

Functions
real	gmx::calculateAcceptanceWeight (LambdaWeightCalculation calculationMode, real lambdaEnergyDifference)
	Calculates the acceptance weight for a lambda state transition. More...