Download of ermod-0.3.alpha2.tar.gz (ermod-0.3.alpha2.tar.gz ( external link: SF.net): 675,782 bytes) will begin shortly. If not so, click link on the left.

File Information

File Size
675,782 bytes
MD5
657928f76b9cbfbd01e57da722674baa

Project 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.