[AMBER] CPPTRAJ average residue-wise contact map

From: anu chandra <anu80125.gmail.com>
Date: Wed, 1 May 2019 15:06:24 -0400

Hello Amber users,

I am trying to generate an average residue-wise contact map along the
simulation time. Using nativecontacts in CPPTRAJ, I could generate native
and nonnative contact map as well as residue time series contact. However,
I wonder whether it is possible to get an average residue-wise contact map
matrix (where 1 for contact and 0 for no contact), using CPPTARJ, that
contain sum of both native and nonnative contacts?

Any help would be appreciated.

Best regards
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Received on Wed May 01 2019 - 12:30:02 PDT
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