[AMBER] SASA calculation

From: Soumendranath Bhakat <bhakatsoumendranath.gmail.com>
Date: Fri, 23 May 2014 14:07:53 +0200

Hi All;

I want to calculate SASA over time for protein-ligand complex. I have
residues ranging from 1-560

My cpptraj or ptraj inputs looks like that

trajin md50.mdcrd

surf R1 :1-560 out sasa.dat


Can anyone please confirm if these SASA script looks good?

Your help will be highly appreciated. 

-- 
Thanks & Regards;
Soumendranath Bhakat
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Received on Fri May 23 2014 - 05:30:02 PDT
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