I am trying to use the tip3p model to simulate water. I tried both sets of tip3p parameters
as provided by:
By fix langevin at 298K and fix press/berendsen at 1 at, I got a density of 0.955 g/cm^3
for the first set of parameters, while 1.051 g/cm^3 for the second set of parameters.
I tried to reset epsilon for O-O in the second set of parameters to 0.152, and it will
give a density of 0.972 +/- 0.003 g/cm^3.
I am therefore wondering if the epsilon for O-O in the second set of parameter is a typo
of 0.152 ?