... U = t orsion s Vn 1 cos n - 2 --- ( ) V1 V2 V3 U = 1 cos 1 cos2 1 cos3 .. ... U = 1 [ F 1 1 cos F 2 1- cos2 F 3 1 cos3 F 4 1- cos4 2 ] «» 1 2 U = V 1 1 -cos U =V 1 -0 2 3 1,2,3. , 1-2-3-4, 1-4-2-3 - - . ... U VdW =4 r [ ] 12 - r 6 -- - : 6 r = exp [ - r / r m -1 ] - - 6 -6 r m U VdW [ ] 6 . AB =1 / 2 AA BB AB = AA BB , 1-4 1-4 , , . AMBER, 1-4 VdW - , 2. 10-12: AC U HB= 10 - 1 r r 2 , : CD - 4 cosm H 6 dd A C U HB= 10 - 12 cos2 r H..Acc r H..Acc U B= [ ] Don- H..Acc cos4 LP- Acc.. ...
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