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 software, such as LAMMPS, GROMACS and/or AMBER.

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Categories

Molecular Science, Chemistry

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Operating Systems

Linux, BSD

Intended Audience

Science/Research, End Users/Desktop

User Interface

Command-line

Programming Language

Fortran, Python

Related Categories

Fortran Molecular Science Software, Fortran Chemistry Software, Python Molecular Science Software, Python Chemistry Software

Registered

2012-02-14
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