Carlo Simulation Annealing program Monte
2016-08-23
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Application background
Each constant of cycle current ligand's orientation are the The is state compared random its to made position and conformation flexibile. if new then to If predecesso. new its is the than energy previous lower new this the immediately if However accepted. state is new state's accepted is energy than higher last the probabilistically. it probability This upon depends energy is the speaking Generally and Carlo temperature. cycle changes temperatures at States high many Monte will be accepted During while annealing simulated temperature the at low temperatures of these probabilistic moves will be rejected. majorityKey Technology
Monte, Carlo annealing, random, FORTRANfortran
蒙特卡罗
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