Ghemical is a molecular modeling and editing package for GNOME. It integrates a molecular mechanics force field as well as integration with MOPAC and optionally the MPQC package for quantum mechanical calculations. It integrates Open Babel to import/export to a variety of external programs.
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Tommi Hassinen, Mikael Peräkylä:
New energy terms for reduced protein models implemented in an off-lattice force field.
J Comput Chem 2001 , 22, 1229-1242