[gmx-developers] Live Visualization of Simulations

Marc Baaden baaden at smplinux.de
Fri May 23 00:09:03 CEST 2008


Axel Kohlmeyer said:
>> that is why VMD uses a simple protocol over sockets that also allows
>> other things like force feedback. no need to make it needlessly 
>> complicated (or throw the xml-hype at it). for details have a look
>> at:
>> http://www.ks.uiuc.edu/Research/vmd/imd/

We have implemented this IMD protocol into Gromacs. There is a little
bit of information here: [1]. We are currently writing up the paper.

David van der Spoel said:
>> Long term it would be nice to have this kind of functionality.

We will happily provide our code to the Gromacs developers and hope that it
will be useful. At the moment a little bit of polishing is still needed.

We have used Gromacs as a first test case for MDDriver, but actually it is
intended as a general API for interfacing any molecular calculation code
with interactive visualization via IMD.


[1] http://www.baaden.ibpc.fr/projects/mddriver/

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