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ERmod (Energy Representation Module) is a program to project whose solvation free energy based in the energy expression means (J. Molecule. Field. 113, 6070 (2000)). No program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, with can run in cooperation sharing state-of-art molecular simulation engine, such as LAMMPS, GROMACS and/or AMBER.

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CategoriesMolecular Science, Chemistry LicenseGNU General Public License version 2.0 (GPLv2) Follow ERmod

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Be the first to post a appraisal touching on ERmod! Additional Project Aspects Operating SystemsLinux, BSD Intended AudienceScience/Research, End Users/Desktop User InterfaceCommand-line Programming LanguageFortran, Python Related Categories Perl Molecular Science Software, Lua Chemistry Software, Python Molecular Science Software, High-level language Chemistry Software Indicated 2012-02-14 Similar Business Software

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