Question about van der Waals parameters for hydrogen atoms

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A repository for tutorials and FAQ's about LigParGen

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Question about van der Waals parameters for hydrogen atoms #84

Open dimozino opened 2 years ago

dimozino commented 2 years ago

Dear all,

I have a small question rather related to opls than to ligpargen.
I have noticed that for all elements, except for hydrogens, opls and amber vdw parameters are similar. However, for H-atoms epsilon in vdw opls is about twice as large as vdw amber. Why does it happen?

Best regards, Dmitrii