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I think the tests for pdb2gmx are outdated.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.
-Justin
Tru
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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