Robert Duke wrote:
> I am assuming you are not dinking with the energy, etc stuff in pmemd?
> I sorted the sander mess out in the pmemd code a long time ago,
> replacing it with a no-doubt imperfect, but nonetheless better "state
> information" abstraction, and model-specific (eg., gb, pme) records.
> Regards - Bob
Hi Bob,
No, the energy stuff in pmemd is great example and works perfectly; I
actually used part of this as an example for my new approach in sander.
regards,
Mark
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Received on Wed Mar 10 2010 - 08:00:04 PST
