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VAMP


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VAMP is a semi-empirical molecular orbital package for molecular organic and inorganic systems. It is capable of calculating many physical and chemical molecular properties very rapidly. Its speed, stability, and reliability make it ideally suited to use for high-throughput screening in areas such as computational drug discovery. VAMP is an ideal intermediate module between force-field and first principles methods and is capable of rapidly calculating many physical and chemical molecular properties. VAMP is optimized to be numerically stable and fast, enabling most calculations to be run interactively on a PC.

VAMP provides researchers:


A bridge between force-field and full ab initio methods
Reliable prediction of thermodynamics, 13C chemical shifts, solvent effects, electrostatics, and optical spectra
A semi-empirical program for fast geometry and transition state optimizations, and rapid access to range of molecular properties


Link: http://accelrys.com/products/materials-studio/modules/VAMP.html


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