namd cvs 26.06.09, tcl 8.5, loadcoords

From: Vlad Cojocaru (
Date: Mon Jun 29 2009 - 09:10:46 CDT

Dear NAMD users,

I noticed that when the cvs code of namd (on 26th of June 2009) was
compiled using tcl 8.5.7 (with gcc 4.1) on a x86_64 arch, I got a rather
unexpected behavior of the tcl command "loadcoords". This command
instead of returning a tcl array , it returns a tcl list in which each
element of the list is a list with the coordinates of the atoms and
groups defined. The coordinates are what I expect but of course this
means I need to change the script accordingly ...

Has somebody already observed this ? If yes, is this valid for
loadforces and loadtotalforces ?
If this was not observed by anybody else, I will do more tests to see if
this is reproducible with the tclforces tutorial files ...

Best wishes

Dr. Vlad Cojocaru
EML Research gGmbH
Schloss-Wolfsbrunnenweg 33
69118 Heidelberg
Tel: ++49-6221-533202
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

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