RE: namddat

From: Irene Newhouse (
Date: Fri Jun 22 2007 - 01:29:08 CDT

Thanks ever so much to Peter Freddolino, my problem is solved. It turned that for no reason anyone can discern, the system I'm on prefixes every line in the output file with 3 spaces & 0:. When I edit out those unexpected 5 characters, namddat works perfectly.
Thanks again!
Irene Newhouse

From: einew_at_hotmail.comTo: namd-l_at_ks.uiuc.eduSubject: namd-l: namddatDate: Wed, 20 Jun 2007 21:01:54 -1000

I've tried out namddat on 2 different systems & it acts the same in both places: Subscript out of range By adding echo statements, I've isolated the problem to this line:
set titles = `awk '/^ETITLE:/ { print; exit }' $argv[$#argv]`
which I copied & pasted in from my download.
I invoke namddat following the example given in a short thread on this mailer from 2 years ago, for instance: namddat VDW TOTAL file.log
That thread spoke of a problem with line 126; I've edited in the altered line 126, but I'm a long way from having gotten that far:-)
Can someone please help me get past go?
Irene Newhouse

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