[AMBER] cpptraj and selection

From: Dhiraj Srivastava <dhirajks.gmail.com>
Date: Sun, 9 Oct 2016 20:56:08 -0500

Hi All
         for the allignment and rmsd calculation, I am trying to use only a
range of residues and not the entire structure because of flexibility of
one domain. but the flexible domain is in the middle of structure. I tried
saveral diferent possibility but none of them appeared to work. like

.CA!:110-220
.CA&!:110-220
:14-109.CA,221-531.CA
:14-109,221-531.CA

and so on. but none of them is giving me correct number of residues used in
alignment. what's the best way to do this?

Thanks
Dhiraj
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Received on Sun Oct 09 2016 - 19:00:02 PDT
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