AMBER Archive (2008)

Subject: AMBER: ptraj: new mask parser

From: Vlad Cojocaru (Vlad.Cojocaru_at_eml-r.villa-bosch.de)
Date: Wed Jan 23 2008 - 05:59:24 CST

Dear amber users,

I was trying tu use the following mask string in ptraj (the version
distributed with AMBER 9)

":1-466 & !@H="

to select the heavy atoms of a protein. According to the AMBER 9 manual
this should work if enclosed in double quotes (which I did). However I
always get an error saying "the = symbol wasnt recognized"

The "=" symbol is described in the manual as an accepted mask wildcard
in the new mask parser.

Could somebody tell me why is this happening? Is there a bug that I am
not aware of ?

Thanks

vlad 

-- 
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Dr. Vlad Cojocaru

EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
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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