[gmx-users] gromacs 4.0.3 tests validations

Justin A. Lemkul jalemkul at vt.edu
Thu Feb 12 13:59:33 CET 2009

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 I think the tests for pdb2gmx are outdated.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.


> 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


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