Dear all, I am a bit confused about how the pair potentials (PPs)are calculated.
If I state explicitly sigma and epsilon values for the pair potentials, can I then still have a coulomb scaling of my 1-4 interactions? Say I set "gen-pairs" to "yes", although I have all possible pair potential interactions specified under "[ pairtypes ]", would I then still be able to scale my 1-4 coulomb interactions by setting a "FudgeQQ" different from 1? Also, would I be able to scale the already given van der Waals interactions with "FudgeLJ"? Finally, are generated pair potentials based on the parameters specified under "[ atomtypes ]" or "[ nonbond_params ]" (if the latter exist) in the ffamber03nb.itp file? Best regards, Soren Enemark
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