Re: bug or custom?

From: BIN ZHANG (zhngbn_at_gmail.com)
Date: Thu Jul 09 2009 - 13:53:52 CDT

That's actually a timestep issue. Nothing wrong about *tclforce* at all.
Sorry about this.

Bin

On Jul 9, 2009, at 11:00 AM, BIN ZHANG wrote:

> Dear all:
>
> While trying to add harmonic restraint between two groups, I found a
> really strange behavior about the *tclforce* command. If one of the
> group only has only one atom, then the total energy won't be
> conserved even with the *addenergy* command. However, if that group
> has two or more atoms, then the energy is perfectly conserved.
>
> Is this a bug or a simple custom of NAMD?
>
> BTW, I'm using NAMD cvs version, and also running simulation in NVE.
>
> Thanks a lot.
>
> Bin
>
>

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