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[modeller_usage] hydrogen bonds with water at the interface



Dear mr/mrs

I am using Modeller to include mutations in the interface of protein-protein complexes. One of the crucial parts of my work here is to characterize and improve the available methods including water at the interface, and I wanted to use the restraints related with hydrogen bond energy since I think they are very important in this. However, I can not find in the documentation how to use the Physical.h_bonds as a restraint, since I don't know how this energy function is defined and what is its input.

Any clue?

Thanks


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