AMBER Archive (2006)

Subject: RE: AMBER: amber8 error installation

From: John Bushnell (bushnell_at_chem.ucsb.edu)
Date: Tue Mar 28 2006 - 20:20:42 CST

Regarding copying files to a cluster:

On Tue, 28 Mar 2006, Ross Walker wrote:
> Dear Abd,
>
> If you don't want to run Leap on your
> cluster, not recommended anyway as you should build the inpcrd and prmtop on
> a local machine and copy them to the cluster to run MD, then you can ignore
> the error message.

   I'm surprised that running leap is not recommended. Almost all of our
users tend to work on Windows, and they log into our cluster, use leap to
build inpcrd and prmtop files, and then launch their jobs. I hardly see
how it would be easier to install amber/leap on all the Windows machines
and then copy files over. Maybe I'm missing something?

    - John
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