[AMBER] non-bonded params

From: hosein geraili <geraili_hosein.yahoo.com>
Date: Fri, 26 Oct 2018 16:30:36 +0000 (UTC)

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?
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Received on Fri Oct 26 2018 - 10:00:02 PDT
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