Journal Article10.1080/08927020211975
Calculating Free Energies Using a Scaled-Force Molecular Dynamics Algorithm
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TL;DR: In this paper, a family of methods to calculate the free energy along a generalized coordinate, based on computing the force acting on this coordinate, is proposed and tested, and a formula that connec...
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Abstract: We propose and test a family of methods to calculate the free energy along a generalized coordinate, , based on computing the force acting on this coordinate. First, we derive a formula that connec...
read more
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