AMBER Archive (2008)

Subject: RE: AMBER: XLeap Problems

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Jul 09 2008 - 13:08:50 CDT

Hi Jeffrey,

Did you build both AmberTools and Amber10?

Xleap is now part of the AmberTools distribution. You should untar both into
the same amber 10 directory and then follow the INSTALL notes to first build
and test AmberTools and then build and test Amber 10.

If you did this, and you have other AmberTools programs in the bin directory
such as ptraj then there was likely a problem with xleap's compilation and
we'd need to see the resulting output from the make command for amber tools.

As for the AMBERHOME not remaining set you will need to add this to either
your ~/.bashrc or ~/.cshrc (depending on the shell you are using) such that
it gets set everytime you login or open a new shell. You will also need to
add the path setting to these files as well. E.g. for Bash shell:

Edit ~/.bashrc and add

export AMBERHOME=/path_to/amber10
export PATH=$AMBERHOME/exe:$PATH

All the best
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Schwehm, Jeffrey M.
> Sent: Wednesday, July 09, 2008 9:26 AM
> To: amber_at_scripps.edu
> Subject: AMBER: XLeap Problems
>
>
> Hello:
>
> We are just getting started with AMBER 10 and have recently downloaded the
> program.
>
> Our problems is that XLEAP is not in the file or directory. We have
> searched for it and have no idea where it is. Also, $AMBERHOME does not
> stay set to the correct file and directory.
>
> Any suggestions?
>
> Thanks,
>
> Jeff S.
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