Re: [AMBER] per-residue or pairwise per-residue basis in decomposing the free energy contributions to the binding free energy

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 6 Dec 2015 16:38:32 -0500

On Sun, Dec 6, 2015 at 1:45 PM, Andrew Bostick <andrew.bostick1.gmail.com>
wrote:

> Dear Jason,
>
> D,E,L,T,A,S,:
> T,o,t,a,l, ,E,n,e,r,g,y, ,D,e,c,o,m,p,o,s,i,t,i,o,n,:
> S,i,d,e,c,h,a,i,n, ,E,n,e,r,g,y, ,D,e,c,o,m,p,o,s,i,t,i,o,n,:
> B,a,c,k,b,o,n,e, ,E,n,e,r,g,y, ,D,e,c,o,m,p,o,s,i,t,i,o,n,:
>
> I think that I should use following part of output file to get what I want
> (figure).
>
> D,E,L,T,A,S,:
> T,o,t,a,l, ,E,n,e,r,g,y, ,D,e,c,o,m,p,o,s,i,t,i,o,n,:
>
> Is my notion true?
>

​Yes, I think so.

HTH,
Jason

-- 
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sun Dec 06 2015 - 14:00:03 PST
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