From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Wed Nov 10 2010 - 04:04:31 CST
> dear ajasja,
>
> this kind of thing could in principle be done,
> but i suspect you would need to change the
> source code.
>
> Well, I suspect I will have to compile NAMD on windows sooner or later :)
But I just remembered the IMD
<http://www.ks.uiuc.edu/Research/vmd/imd/>protocol. Perhaps it could
be misused for this purpose? It is possible to
get the energies back and perhaps using the IMD_FCOORD or IMD_MDCOMM header
it is possible to send new conformations.
Is there an IMD protokol specification somewhere? I have been reading the
example source code found on the "main" IMD site as well as the NAMD source,
but it takes longer to get an overview.
Best regards,
Ajasja
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