[gmx-developers] Bugs in g_sdf

Ondrej Marsalek ondrej.marsalek at gmail.com
Thu Oct 15 20:17:42 CEST 2009

On Wed, Oct 14, 2009 at 01:16, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> Please submit a Bugzilla here http://bugzilla.gromacs.org. The more
> information you provide about your system, computational environment,
> command line, etc. the better.

Done. The bug report is here:


> Also, make sure you attach a tarball of your
> inputs and outputs that will replicate your problem - but obviously a
> minimal-length input trajectory, and a .tpr that doesn't have to run for a
> week to observe a problem would both be desirable.

There is a test case that can be run in under a minute and should show
the problems.

> The people who might fix bugs you've found are busy volunteers - you need to
> make it easy for them to see you might have a real problem and for them to
> be able reproduce it. Even if they can't solve it immediately, with Bugzilla
> it'll at least be on the to-do list.

Yes, I should have done this. I thought the description was
straightforward enough, but of course a bug report and a test case is
always better.


> Mark
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