AMBER: ptraj: new mask parser

From: Vlad Cojocaru <Vlad.Cojocaru.eml-r.villa-bosch.de>
Date: Wed, 23 Jan 2008 12:59:24 +0100

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 

-- 
----------------------------------------------------------------------------
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/
----------------------------------------------------------------------------
EML Research gGmbH
Amtgericht Mannheim / HRB 337446
Managing Partner: Dr. h.c. Klaus Tschira
Scientific and Managing Director: Prof. Dr.-Ing. Andreas Reuter
http://www.eml-r.org
----------------------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jan 27 2008 - 06:07:04 PST
Custom Search