From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Wed Jul 26 2006 - 10:10:55 CDT
Hi Luca,
I'd recommend downloading and trying the test release (instructions at
http://www.ks.uiuc.edu/Research/vmd/alpha/), which features a greatly
improved namdenergy plugin, particularly for periodic trajectories.
Please let me know if you still get odd results using the new version.
You also need to be running namd 2.6b1.
Best,
Peter
Luca Bellucci wrote:
> Hi all
> I try post-md NPT energy analysis with namdenergy
> and i find that PAIR INTERACTION: STEP: 0 VDW_FORCE: 99999999.9999 etc....
>
> I check the input namd-temp.namd but it is "ok" .
> Must I put pbc or cell side parameter ?
> Are there any suggestions?
>
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