AMBER Archive (2008)

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

From: Vlad Cojocaru (
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

Dr. Vlad Cojocaru

EML Research gGmbH Schloss-Wolfsbrunnenweg 33 69118 Heidelberg

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


---------------------------------------------------------------------------- EML Research gGmbH Amtgericht Mannheim / HRB 337446 Managing Partner: Dr. h.c. Klaus Tschira Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter ----------------------------------------------------------------------------

----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to To unsubscribe, send "unsubscribe amber" (in the *body* of the email) to