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<div>Hi everyone!</div>
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<div>The OPLS AA SEI for carbohydrates scales the 1,5 and
1,6 interaction by a certain factor. How do I go about
introducing the scaling of these intearctions in the ff
parameters? The CHARMM ff also has certain 1,4
parameters, I am not sure how we can go about placing
these specific parameters in the ff.</div>
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<div>Your help is greatly appreciated. Thanks.</div>
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<br>
See use of fudgeQQ and nrexcl in section 5.7.1, and discussion of
pairs and exclusions in 5.3.4 and 5.4. Basically you will want to
exclude 1,5 and 1,6 interactions with nrexcl and generate pair
parameters by some mechanism. Different scalings for 1,4 1,5 and
1,6 would be a pain.<br>
<br>
Mark<br>
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