AMBER Archive (2001)

Subject: substracting of MM nonbondeb potential from QM curve

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Dear AMBERs,

I am trying to parametrize a new dihedral. I made hf/6-31G* scan along
this dihedral angle. Now, I have to substract a molecular mechanical
nonbonded potential from the quantum curve (AMBER 6 manual pg. 389,
Appendix C). But I think that it will be manually very hard problem. Does
anybody have any suggestion how to do it quickly?

Thank you very much in advance.

With best regards, Michal Otyepka
      
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