AMBER Archive (2006)

Subject: RE: AMBER: TI cal

From: Ross Walker (
Date: Thu Feb 23 2006 - 13:25:57 CST

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 |
| Tel: +1 858 784 8889 | EMail:- |
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available on request |

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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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