[AMBER] About penalty scores

From: Arun Srikanth <askforarun.gmail.com>
Date: Mon, 23 Oct 2017 20:02:08 -0400

Hello all.

I used parmchk2 to get the parameters for my molecule.
But one of the dihedral parameters has a high penalty score.

Is it too high ?

Is there any way to correct this

cd-cc-os-cc 2 2.100 180.000 2.000 same as X
-c2-os-X , penalty score=232.0

Thank you
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Received on Mon Oct 23 2017 - 17:30:02 PDT
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