AMBER: mesure dihedral angle during MD

From: julien <>
Date: Sun, 13 Mar 2005 17:52:01 +0100

Dear all,

I tried to measure a dihedral observed during MD simulation using ptraj. The
value oscillate between +180 and -180. Is it possible to get in the ouput only
positive values ? Do I have to chnage the source code for that ? If yes how
since I am not a programmer and I have no knowledge in C...

Julien Pecher
Laboratoire de Biophysique, DMAG, INERIS-EA 3901
Faculte de Pharmacie, 1 rue des Louvels
80037 Amiens Cedex 1, France
Tel: +33 (0)3 2282-7498 Fax: +33 (0)3 2282-7469
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Received on Sun Mar 13 2005 - 17:53:02 PST
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