Re: NAMD_energy_plot

From: Jason Swails (
Date: Tue Jul 22 2014 - 17:22:29 CDT

On Jul 22, 2014, at 3:08 PM, sananda chatterjee <> wrote:

> Dear all,
> I have performed a MD simulation in NAMD using AMBER force field. I next analysed the energy plot using NAMD plot using the NAMD log file but i am getting positive van der Waals energy ranging from +9500 to +10520.Is there anything wrong having positive values for VDW .

No, there is nothing wrong with that. All it means is that numerous electrostatic attractions are strong enough to draw two atoms closer together than their pair sigma value.


Jason M. Swails
Rutgers University
Postdoctoral Researcher

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