[Users-list] JTYPE H-Bonds

[a a]

Dear Sir/Madam,

I could like to know how GRID incorporate the JTYPE value in molecular 
interaction potentials calculations.  How JTYPE values affect the calculated 
molecular interaction potentials?  How does the JTYPE value take the lone 
pair orientations into account or to produce the effect of anisotropical 
interactions?  As I cannot find the JTYPE values in the equations used to 
calculate molecular interaction potentials?  Are there any key 
paper/textbook talk about how GRID do this?

Please kindly help!

Best regards
aa'

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