Hi, I am trying to equilibrate a box of SPC/E water using NVT simulations. After 2 ns of equilibration my pressure is still <0 bars. Is it an expected behavior for NVT simulations or the pressure should converge to the thermodynamic equilibration value corresponding to T and density after a finite time of equilibration? Can anyone point me to fundamental theory pertaining to this behavior as I couldn't find any upon googling.
Please do not suggest doing NPT as for some reason I want to avoid it for now. Manik Mayur Graduate student Microfluidics Lab Dept. of Mechanical Engg. IIT Kharagpur INDIA
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