[gmx-developers] g_sdf, who developed it?

David van der Spoel spoel at xray.bmc.uu.se
Thu Jun 3 08:03:16 CEST 2010


On 2010-06-03 06.19, Tsjerk Wassenaar wrote:
> Hi David, Chris,
>
> The bug referred to concers make_ndx, not g_sdf. I indeed made a few
> changes in the code, but those were minor adaptations required to have
> it work with GMX3.3.1, such as changing gmx_fatal statements.
>
oops it should be

http://bugzilla.gromacs.org/show_bug.cgi?id=356

An additional problem is that we have two seemingly identical programs, 
g_sdf and g_spatial
Chris: did you develop the latter then?

Question is whether we need both...

> Cheers,
>
> Tsjerk
>
>
> On Wed, Jun 2, 2010 at 10:39 PM,<chris.neale at utoronto.ca>  wrote:
>> g_sdf was developed by Christoph Freudenburger. It was uploaded and
>> supported with mailing-list assistance by Dallas Warren:
>> http://lists.gromacs.org/pipermail/gmx-users/2005-August/016578.html
>>
>> Looks like it was also modified by Tsjerk Wassenaar (to work with 3.3.1):
>> http://www.gromacs.org/index.php?title=Download_%26_Installation/User_contributions/Other_software
>>
>> Quoting David van der Spoel<spoel at xray.bmc.uu.se>:
>>
>>> Hi,
>>>
>>> I forgot who contributed the code for g_sdf, but there seems to be a
>>> strange problem with the code. Maybe he/she with insight in the innards
>>> of the program can have a look at
>>> http://bugzilla.gromacs.org/show_bug.cgi?id=367
>>>
>>> Thanks,
>>> --
>>> David van der Spoel, Ph.D., Professor of Biology
>>> Dept. of Cell&  Molec. Biol., Uppsala University.
>>> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205.
>>> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
>>> --
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>>
>>
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>
>
>


-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se



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