Hi,<br>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.<br>
<br>Please do not suggest doing NPT as for some reason I want to avoid it for now.<br><br clear="all">Manik Mayur<br>Graduate student<br>Microfluidics Lab<br>Dept. of Mechanical Engg.<br>IIT Kharagpur<br>INDIA<br>