Running NVT simulations

From: Eric Perim (
Date: Fri May 25 2007 - 18:03:48 CDT

Dear all,

   As far as I know, NAMD default is to carry NVE simulations, so if there
is no Temperature or Pressure control on that is the ensemble which will be
used, but I would like to know how I can, using only a temperature control,
choose between NVT and NTE simulations, since I can't find any control to
keep the volume or the energy constant. Up until now, every time I kept the
temperature constant the volume didn't change, but last time I ran a
simulation with the usual parameters the volume completely changed. Could
anyone tell how to ensure that the volume will be kept constant?

Thanks in advance,
Eric Perim

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