Hello, i'm interested in using the MM abilities through a C interface. I want three methods: setModel(float atoms *,int numAtoms, float bonds *, int numBonds) doEnergy() getModel(float atoms &,float bonds &) ??? getSetup(); changeSetupParam(???); Has anybody these things already implemented and can give me the example code. The setup of the energy calculation method (plain energy or trying gradient descent, ...) would be also helpfull. Is there more documentation for the setup class and the model class available ? Regards, Joerg -- Dipl. Chem. Joerg K. Wegner Univ. Tuebingen, Computer Architecture, Sand 1, D-72076 Tuebingen, Germany Tel. (+49/0) 7071 29 78970, Fax (+49/0) 7071 29 5091 E-Mail: mailto:wegnerj@informatik.uni-tuebingen.de WWW: http://www-ra.informatik.uni-tuebingen.de