AMBER Archive (2006)

Subject: RE: AMBER: TI cal

From: Steve Seibold (
Date: Thu Feb 23 2006 - 14:08:20 CST

Thanks, Ross

You were correct, my system was defaulting to amber7. I had to change
my $AMBERHOME path.





From: [] On Behalf
Of Ross Walker
Sent: Thursday, February 23, 2006 2:26 PM
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



|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
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        From: []
On Behalf Of Steve Seibold
        Sent: Thursday, February 23, 2006 11:03
        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?




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