Re: Constant Energy Simulations

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri Jun 30 2006 - 10:37:16 CDT

Hi Eric,
constant energy is the default unless you use a thermostat to change it.
To run in the NVE ensemble, for example, you should set cell basis
vectors, but no thermostat or pressure control.
Best,
Peter

Eric Perim wrote:
> Hi,
>
> I'd like to carry some simulations on NAMD using constant energy
> essemble. I already searched the NAMD Users Guide, the tutorial and
> the mailing list archive, but could not find how to do it. Which
> parameters do I need to set for this purpose?
>
> Thanks

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