On Tue, May 08, 2012, Jason Swails wrote:
> Nevermind, I see the problem. Re-run your simulation specifying the "-O"
> command-line argument. The problem is with one of the bug fixes (it has a
> bug, heh). We will get this fixed, but in the meantime you can use
> pmemd.cuda -O to circumvent it.
Good reason to (try to) make sure that bug fixes are fully tested in real
calculations before rushing to post them to the bug fix page. This is
already the second time we've had to modify this bugfix. Furthermore,
there was an available workaround originally (using ntwr<0), which tends
to minimizes the urgency in getting the bugfix out there.
I would like people to keep these sorts of issues in mind as we prepare future
bugfixes.
....dac
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Received on Tue May 08 2012 - 10:30:03 PDT
