On 17/12/2011 5:25 PM, balaji nagarajan wrote:
Dear Users !
I have used the energy group option to split the energy terms , for
the protein and the water.
You have split the *non-bonded* terms.
It gives all the terms ,
protein-protein , water-water , water-protein .
I have a doubt ,
the distance and the angle are taken for both water and the protein ,
I don't see what distance and angle you mean.
how one can get these energy terms for protein alone.
What energy terms do you want? You have the intra-protein non-bonded
energies above.
Mark
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