[gmx-users] 1,5 and 1,6 LJ interactions for OPLS AA SEI
Mr Bernard Ramos
bgrquantum at yahoo.com
Mon Apr 11 06:49:30 CEST 2011
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.
Your help is greatly appreciated. Thanks.
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