However, to mimic bulk-like behavior periodic boundary conditions are applied in all three directions. For studying homogeneous (water) nucleation, initial equilibration is carried out on a cubical system using isotropic NPT integration scheme 56-59 at 1atm and 370K for 200ps; this equililibration time is chosen such that the systematic variations in macroscopic variables, like density, are nullified. Box dimensions obtained after equilibrated are shown in the first row of Table .