> While In the following directory
>
> /usr/local/amber11/exe
>
> I found xleap but it is not running and giving error
This means you have xleap from AMBERTools 1.3 built. AMBERTools 1.3 extracts
into the directory AMBER 11.
> Error: you must set the AMBERHOME environment variable!
This is the error. You need to set this environment variable. It is only
used by AMBERTools, not sander, pmemd etc so you would simply point this at
AMBER11. e.g.
for bash shell:
export AMBERHOME=/usr/local/amber11/
for csh shell:
setenv AMBERHOME=/usr/local/amber11/
Then xleap should run fine with AMBERHOME/exe/xleap (or by adding
$AMBERHOME/exe/) to your path.
You should probably add the AMBERHOME definition to your .bashrc or .cshrc
file so it gets set everytime you login.
Good luck,
Ross
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Received on Thu Feb 04 2010 - 13:00:03 PST
