PART 1-MCPB.py: Metal Center Parameter Builder | Parameter Logam Pada Dinamika Molekul dengan MCPB
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PART 1-MCPB.py: Metal Center Parameter Builder | Parameter Logam Pada Dinamika Molekul dengan MCPB
MCPB.py, a python based metal center parameter builder, has been developed to build force fields for the simulation of metal complexes employing the bonded model approach. It has an optimized code structure, with far fewer required steps than the previous developed MCPB program. It supports various AMBER force fields and more than 80 metal ions ...
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