[AMBER] hbond print option equivalent in cpptraj from AmberTools13?

From: miguel <miguel.ortiz-lombardia.afmb.univ-mrs.fr>
Date: Sat, 27 Apr 2013 17:01:54 +0200

Hi,

I wonder if there is a way to reproduce the ptraj option 'print' of the
hbond command with the latest version of cpptraj (AmberTools13). The
option does not exist anymore. The 'lifetime' analysis has a 'cut'
option that is intended for hbond series, but in fact it does not
produce the same result since in the series data a particular H-bond is
either '0' (absent) or '1' (present). I had expected that at least the
cutoff would be applied to the lifetime window, but it does not seem so.

In the 'print' option the cutoff was on the overall average, this is
what I would like to reproduce.

I would appreciate any hints.

Cheers,

-- 
Miguel
Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
e-mail: miguel.ortiz-lombardia.afmb.univ-mrs.fr
Web: http://w2.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
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Received on Sat Apr 27 2013 - 08:30:02 PDT