Web12. júl 2024 · Here we report on the incorporation of the OPLS3e force field with the VSGB2.1 solvation model in the popular refinement package Phenix. The implementation is versatile and can be used in both... WebAdjust number of macro_cycles Number of macro_cycles: 10 Reset NCS operators Extract rigid body selections Check and reset occupancies Occupancies: min=1.00 max=1.00 …
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