I want to calculate the melting point for tip4p.with plot of energy versus time
- I have used this paper (The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface) for comparing the results.there is a big difference between total energies. I did not see jump in energy at temp of melting or freezing . Energy decreases and becomes constant at each temperature.
can you help me with this problem?
my input was attached
inwi.in (2.37 KB)
I want to calculate the melting point for tip4p.with plot of energy
versus time
1) I have used this paper (The melting point of ice Ih for common water
models calculated from direct coexistence of the solid-liquid interface)
for comparing the results.there is a big difference between total energies.
I did not see jump in energy at temp of melting or freezing .
yes. this is why people use other methods to determine the melting point.
you cannot simply translate macroscopic behavior to molecular simulations.
Energy decreases and becomes constant at each temperature.
can you help me with this problem?
this is a conceptual problem.