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Datei-Informationen

Dateigröße
711,352 Bytes
MD5
c284b85f8bd656a27aa09758e36c0a14

Projektbeschreibung

ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation softwares, such as NAMD, GROMACS and/or AMBER.