AMBER Archive (2004)

Subject: Re: AMBER: question about xleap

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Thu Jun 03 2004 - 12:31:23 CDT

xleap is just a wrapper for xaLeap. In amber8 the wrapper should refer
to $AMBERHOME/exe/xaLeap (you can look at the file to see what it is
doing) and therefore should find xaLeap if it found xleap. In previous
versions of amber you might need to put $AMBERHOME/exe to your $PATH, e.g.:

export PATH="${PATH}:$AMBERHOME/exe"
(this is for bourne shells; you need to modify for other shells)

Cheers,
-Viktor

jz7_at_duke.edu wrote:

>Dear all,
>
>I am trying to follow the DNA tutorial on Amber website. After setting the
>path and running nucgen, I cannot load xleap. When I type the command:
>
>$AMBERHOME/exe/xleap -s -f $AMBERHOME/dat/leap/cmd/leaprc.ff99
>
>It gave the error message:
>
>xaLeap: Command not found.
>
>This is very strange. First, the command I use is "xleap", not "xaLeap";
>second, I check the directory "$AMBERHOME/exe/", both xleap and xaLeap are
>there. So what is the problem?
>
>Thanks a lot for your kind help!
>
>Best,
>Jeny
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