Télécharger des ermod-0.3.alpha7.tar.gz (ermod-0.3.alpha7.tar.gz ( lien externe: SourceForge.net): 689,580 octets) va bientôt commencer. Sinon, cliquez sur ermod-0.3.alpha7.tar.gz ( lien externe: SourceForge.net).
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.
