[AMBER] hydrogen bond cpptraj

From: Lara rajam <lara.4884.gmail.com>
Date: Wed, 7 Oct 2015 21:18:51 -0400

Dear Amber !

I would like to find the hydrogen bond between two residues for example
between 1 and 2 , I gave the ptraj scripts as below

trajin test1.mdcrd

hbond HB :1-2 out 12DF_nhb.dat avgout nointramol 12DF_avghb.dat series

run

runanalysis lifetime HB[solutehb] out 12DF_lifehb.dat



But this also gave the hydrogen bond within the same residue , to avoid
this how to give the keywords , I also tried nointramol but not worked out.
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Received on Wed Oct 07 2015 - 18:30:03 PDT
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