Download of ermod-0.3.rc1.tar.gz (ermod-0.3.rc1.tar.gz ( external link: SF.net): 724,975 bytes) will begin shortly. If not so, click link on the left.

File Information

File Size
724,975 bytes
MD5
0b7a86fbc9b8d2256e729032a0676e5a

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.