Re: recalculating energies

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Fri May 11 2007 - 12:28:04 CDT

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Could you please tell us exactly how you're calculating the energies?
You need to explicitly set at least the initial box size...
Peter

dimka wrote:
> When I recalculate energies from NAMD-generated trajectory using the
> same par/top file I get _very_ high vdW energies (1E09). When namd
> reads trajectory, are the box dimensions also read?
>
> Dima

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