[gmx-developers] g87 support

[Anton Feenstra]

Hi,

Somewhere mid or end nineties, this native support still made sense. Two 
decades later I agree it should be retired. There are many other 
features that are much more worth our developers' time.

On 22/01/14 17:37, Mark Abraham wrote:
> Hi,
>
> Following up here, I have a patch in gerrit
> (https://gerrit.gromacs.org/#/c/2976/) that removes support for g87 and
> XYZ. The latter can be read with the GROMACS-supported VMD plugins, so
> native support is not needed (even if it works, which I doubt).
>
> On Mon, Apr 15, 2013 at 9:17 AM, David van der Spoel
> <spoel at xray.bmc.uu.se <mailto:spoel at xray.bmc.uu.se>> wrote:
>
>     On 2013-04-15 01:01, Mark Abraham wrote:
>
>
>     There is one more aspect: .g87 is also the Amber ascii trajectory
>     format (Peter Kollman borrowed a lot of code from Wilfred when was
>     doing his sabbatical in Groningen). It would be good to hook up with
>     Tom Cheathams trajectory reader (or merge that with our own efforts).
>
>
> AMBER's ASCII trajectory formats and their correspondence to naming
> extensions have changed a few times, and I never seem to get a straight
> picture of what was what when I Google for it. I'm kinda happy not
> supporting any of them natively. Not sure to which Cheatham tool you
> were referring, but ptraj in AmberTools and the VMD plugins used in
> GROMACS seem like these bases are pretty well covered without trying to
> fix or maintain whatever of our g87 / XYZ support actually works.
>
>     Anyway I haven't used this in a while but last time I did it still
>     worked some way or another.
>
>
> Sounds like a worthwhile feature ;-)
>
> Mark


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam   |
|(   |   )| | | De Boelelaan 1081 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P136 |
|             | Feenstra at few.vu.nl - www.few.vu.nl/~feenstra/         |
|             | "Got Coffee, Got Donuts, Got Wasted" (F. Black)       |
|_____________|_______________________________________________________|