Justin A. Lemkul wrote:
Tru Huynh wrote:
On Thu, Feb 12, 2009 at 09:19:29AM +0100, Ran Friedman wrote:
Hi,
I think the tests for pdb2gmx are outdated. Most fail due to warning(s)
while running grompp, which were allowed with older versions.
I'm not sure who maintains this tests - maybe a new version is due.
thanks for the reply.
Any idea for the parallel runs?
These may not be relevant either. There are a ton of new features
between 3.3.x and 4.0.x, so I would agree that probably a new test set
would be needed.
I am working on it but got distracted. The pdb2gmx test fails because of
errors in the force field files :( (for the encads force field).
We would like to have proposals for new test that target specific
features of gromacs.
-Justin
Tru
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