Published March 19, 2026 | Version v1

GROMACS tutorial: Free energy of solvation using AWH method

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Change in free energy is a very important physical quantity that determines the direction of many biological processes. Free energy perturbation (or alchemical free energy computation) is a computational technique for evaluating the difference in free energy between two states. In this tutorial you will learn how to apply accelerated weighted histogram (AWH) method to compute the free energy of solvation of a simple molecule.

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