[AMBER-Developers] First AmberTools release candidate

From: case <case.biomaps.rutgers.edu>
Date: Tue, 16 Mar 2010 12:56:43 -0400

Hi everyone:

You can get the first AmberTools release candidate here:



1. This unpacks into a new directory scheme. You have to go to
amber11/AmberTools/src to run "configure". Instructions are in the Users'
Manual, so don't assume that everything is completely identical to what you
are used to. (Note that you still set AMBERHOME to .../amber11, as before, and
as the configure script instructs.)

2. Serial tests should be mostly working; there will be two nab-related
bad file comparisons, but I am working on that, and they are not real errors.
The only parallel test is for ptraj.MPI, and that should be working.

3. The AmberTools.pdf file is up-to-date as of 16 Mar. But it still needs
lots of work.

4. It looks like everything a user should need is present, but let me know
if that is not true. Also, be on the lookout for directories or files that
should not be in the distribution...these are harder to catch, since they
usually don't cause an errors.

5. This has been tested with gnu compilers on MacOS and intel 11.1 on linux.
So there are lots of untested platforms out there....I am sure that Lachele
can break this :-) Please report problems to amber-developers.


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Received on Tue Mar 16 2010 - 10:00:03 PDT
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