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Shun Sakuraba Nobuyuki MATUBAYASI

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 calculates the solvation free energy in arbitrary solvent, including inhomogeneous system, without requiring tuning parameters for specific solvent species. It can run in cooperation with state-of-art molecular simulation softwares, such as NAMD, GROMACS and/or AMBER.

Quick Start Guide

Parameters

Outputs from ermod run

Build Guide

Want to run program on SPARC? Or Itanium? Then this is a guide for you!

TIPS

Advanced Guides

FAQ

Mailing List and Support

Migration Guides

Benchmarks

Performance information will be posted here.

Technical & Theoretical Documents


Related

Wiki: FAQ_install
Wiki: FAQ_running
Wiki: FixedLigandBind
Wiki: HandleOutputFiles
Wiki: IncorrectNormalization
Wiki: LongRangeCorrectionLJ
Wiki: MeshErrorLargerThanRecommend
Wiki: MigrationGuide0102
Wiki: MigrationGuide0203
Wiki: MoreThanOneSolute
Wiki: ProteinSolvation
Wiki: QuickStartGuide
Wiki: SpecialTrajFormat
Wiki: Support
Wiki: TooLargeMinimum
Wiki: benchmark
Wiki: build-Cygwin
Wiki: build-Guide
Wiki: build-MacOSX
Wiki: build-Supercom
Wiki: build-VMDPlugin
Wiki: debug-practice
Wiki: doc-DevGuide
Wiki: doc-LectureNotes
Wiki: doc-TechnicalNotes
Wiki: doc-Theories
Wiki: output
Wiki: parameters-ermod02
Wiki: parameters-ermod03
Wiki: parameters-slvfe
Wiki: refs-converge
Wiki: sample-skpcnf
Wiki: tips-ecdinfo

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