AMBER Archive (2008)

Subject: AMBER: ptraj: projection command missing in dispatch.c (AMBER 10)

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Tue Jul 15 2008 - 08:45:11 CDT

Dear ambers,

I noticed that the "projection" action command in ptraj is missing in
the dispatch.c file in the AmberTools 1.0 distribution. Therefore when I
attempted to run a PCA, the projection command failed with an error
indicating "unknown action type".

The solution is to introduce the line below in the dispatch.c form ptraj
of AmberTools 1.0 at line 305

 {"projection", 10, -1, TRANSFORM_PROJECTION, ptrajSetup},

Best wishes
vlad 

-- 
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Dr. Vlad Cojocaru

EML Research gGmbH
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69118 Heidelberg

Tel: ++49-6221-533266
Fax: ++49-6221-533298

e-mail:Vlad.Cojocaru[at]eml-r.villa-bosch.de

http://projects.villa-bosch.de/mcm/people/cojocaru/

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