AMBER Archive (2005)

Subject: AMBER: mesure dihedral angle during MD

From: julien (julien.pecher_at_u-picardie.fr)
Date: Sun Mar 13 2005 - 10:52:01 CST

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
email: julien.pecher_at_u-picardie.fr
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