[gmx-developers] real-time GROMACS visualization

[Anton Feenstra]

Marc Baaden wrote:
[...snip.interesting.preamble.snip...]
> In the best case scenario an interactive exploration would already show a
> rough feature that could then be confirmed and analysed in detail in a
> full MD simulation. This will depend on how subtle/robust the feature is
> against approximations and simplifications which are obviously needed for
> the interactive approach.
> 
> Do I have a point ?

Well, in any case I can confirm you are not the only one.

I know that at the Technical U of Delft, they have a spiffy 
'3D-workbench' (back-projected 3D crystal-eyes, large enough for 3-4 
people to stand at) setup, which they linked to 'interactive' 
simulations with Gromacs. I'm not sure at what level they interfaced, 
but it must be library-based. I've seen it work, it looks magnificent 
and, indeed, there is a high level of intuitive feel to it. It comes 
with a '3D-pointer' that you can use to drag atoms, molecules, etc.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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