Thanks, Ross
You were correct, my system was defaulting to amber7. I had to change
my $AMBERHOME path.
Steve
________________________________
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
Of Ross Walker
Sent: Thursday, February 23, 2006 2:26 PM
To: amber.scripps.edu
Subject: RE: AMBER: TI cal
Are you using Amber version 8?
Check that your $AMBERHOME variable points to the amber8 installation.
Try: which xleap
to ensure that you are using the correct version of leap.
All the best
Ross
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
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http://www.rosswalker.co.uk/> | PGP Key
available on request |
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________________________________
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu]
On Behalf Of Steve Seibold
Sent: Thursday, February 23, 2006 11:03
To: amber.scripps.edu
Subject: AMBER: TI cal
Hello AMBER users
I am trying to perform the tutorial on TI calculations on your
web site. However, for some reason when I get to the xleap table of
selected atoms I DO NOT have any column labeled
"DELTA.charge" or "Unused". I have searched the web for
information but have not found anything. What am I missing?
Thanks
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Received on Sun Feb 26 2006 - 06:10:17 PST
