Fw: Problem with PSFGEN?

From: Shirley Hui (shirleyhui_at_alumni.uwaterloo.ca)
Date: Thu Sep 09 2004 - 21:51:53 CDT

Hi, I'm sorry I have figured out the problem.
The problem was that I was running psfgen from another directory other than where the psfgen.exe was present. For some reason, psfgen doesn't like this??
When I run the command:
psfgen < 1hcl.in
from the same directory as the executable, the errors disappear.

----- Original Message -----
From: Shirley Hui
To: namd-l_at_ks.uiuc.edu
Sent: Thursday, September 09, 2004 10:45 PM
Subject: Problem with PSFGEN?

Hi, I am having problems running psfgen on the attached file.
There errors seem to be for every single atom in the file.
I am running:

psfgen < 1hcl.in

The original file is from the RSCB PDB:

Can anyone please provide some insights??

Thank you very much,

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