From: Jim Phillips (jim_at_ks.uiuc.edu)
Date: Tue Dec 06 2016 - 15:59:34 CST
Set "outputEnergies 1" and look at what is happening to the volume. You
could have bad barostat settings or just be starting will too small a
volume (very high pressure) such that the cell size blows up. If so try
manually increasing the cell size slightly.
On Thu, 24 Nov 2016, faride badalkhani wrote:
> Dear NAMD users,
> I am performing MD simulations on a polymer in water. I performed 20000
> steps of minimization (time step : 1 fs) and then 2 ns of NVT simulations
> without any problem. Then I wanted to change the ensemble to NPT, but I got
> the following error:
> Low global exclusion count errors!
> I wonder if the system is unstable because it has been running without
> getting error fot 2 ns before going to NPT simulation.
> Would you mind helping me on how to solve this issue?
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