[gmx-developers] Live Visualization of Simulations

[Axel Kohlmeyer]

On Thu, 22 May 2008, Mark Abraham wrote:

MA> Sounds like adding a flush onto trajectory writes and writing a custom
MA> plugin for VMD/pymol/whatever that updates the current display when the file
MA> timestamp changes should be simple and good enough for your purpose... You'd

or a simple hack similar to the one at:

http://www.theochem.rub.de/~axel.kohlmeyer/cpmd-vmd/part7.html#chap9_sect4

with a little extra scripting you could make it more automatic.

MA> want to be sure that the extra I/O burden was worthwhile - be that a
MA> buffered file-system write or your xml-rpc idea.

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/

cheers,
   axel.

MA> 
MA> Mark
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-- 
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Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
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