CARFO & CARFO Population (R2)
نویسندگان
چکیده
منابع مشابه
ON A NOVEL MONTE CARLO SCHEME FDR SLMULATING WATER AND AQUEOUS SOLUTiONS*
The usual hfetropolis ltfonte Carlo afgorithm, when applied to highiy associated liquids iike ST-2 water is _Ehown to be very siow in establishing equilibrium, and often Ieads to bottlenecks in configuration space. A new Jfgorithm is presented in which the Monte Carfo moves are biased in the direction of the forces and torques acting on tbe individual molecule. Comparison with the hfetropoiis s...
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