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ERmod

Approximate solvation free energy calculator

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Description

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.

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Additional Project Details

Intended Audience

Science/Research, End Users/Desktop

User Interface

Command-line

Programming Language

Fortran, Python

Registered

2012-02-14

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