Re: amber-developers: State of NEB in AMBER10?

From: David A. Case <>
Date: Tue, 24 Apr 2007 09:18:52 -0700

On Mon, Apr 23, 2007, Ross Walker wrote:
> It seems that someone has removed the sander.PIMD.MPI target from the
> Amber10 makefile and has also commented out all of the test cases. This
> renders NEB simulations in amber10 impossible...
> What is the status of NEB now in amber10?
> Why have all the test cases been commented out?

Wei is the one who has the details. Are you sure that NEB is not working?
There isn't supposed to be a sander.PIMD.MPI anymore, and NEB should work
the same way as PIMD does, that is, with sander.MPI.

> If not can you please let me know the last CVS date on which it worked and
> was verified to give the correct answer so I can check that out.

The sander.PIMD* targets were removed on 10/17/2006 -- see the CVS log
for amber10/src/sander/Makefile.

Received on Wed Apr 25 2007 - 06:07:33 PDT
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