Hi everyone,

I am pretty new to MS 6, but I am wondering how I can calculate the melting temperature of water/ice with the aid of mW (a kind of water model). As one paper suggests, I can build a box of half ice and half liquid water, both of which consist of mW water molecules, plot total energy vs time by varying the temperature, given what is growing in the box is on NPT, and from the plot I then read the Tm. But my questions are:

1) How/where to build a water molecule that satisfies a particular model requirement?

2) How to specify the phase of water generated in (1)? i.e. liquid and solid/ice initially in the box.

3) To obtain the plot of my interest, do I run the quench in Forcite and is it the only place where I can run quench?

Thank you in advance for your generous help.

Dan