Hi all,I need to use a scaling factor on the result of the Loerntz-Berthelot combination rule on two different atoms inside a protein. I found the force field files in the $AMBERHOME directory, but I don't know how to do this particular action. In Gromacs, I would add:
[ nonbond_params ];i j func sigma epsilon O21 K 1 number number
in the ffnonbonded.itp, but I don't know how to do it in Amber.
Any idea on how to do this?
Best
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Received on Fri Oct 26 2018 - 10:00:02 PDT
