Re: Run-time system modification

From: Jérôme Hénin (
Date: Tue Nov 23 2010 - 02:05:39 CST

Hi Josh,

Anything is possible, if you are willing to rewrite the relevant parts
of NAMD. That's the power of open-source.

Depending on what exactly you want to do, there may be much easier
ways, but then you need to be more specific about what you are trying
to achieve. By "applying empirical constants", do you mean
constraints? If so, what kind of constraints?


On 23 November 2010 06:38, JC S <> wrote:
> Hi,
> Is it possible to modify a namd simulation run after every time-step
> with my own program? I need to apply empirical constants on the system
> that cannot be simulated due to time. Any information on this would be
> helpful.
> Thanks,
> Josh

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