RE: AMBER: TI cal

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 23 Feb 2006 11:25:57 -0800

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

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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
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