[AMBER] Radius of gyration for the hydrophobic core

From: Aishani Prem <aishaniprem.gmail.com>
Date: Thu, 12 Jan 2017 15:51:38 -0800

Hi,
    I am trying to get the radius of gyration for just the hydrophobic
residues of a beta-hairpin structure. The hydrophobic residues are residue
number 43, 45, and 52. Right now I have a code that calculates the Radius
of gyration for the entire structure.
trajin pdb_gb.mdcrd
radgyr out radgyr_backbone :42:56 .N,CA,C,O time 0.1

I just want to know what is the best way to calculate the radius of
gyration for just the hydrophobic core ? 

-- 
Thank You and Regards,
Aishani Chittoor Prem
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Received on Thu Jan 12 2017 - 16:00:03 PST
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