Fast and accurate determination of phase transition temperature via individual generalized canonical ensemble simulation
Shao Ming-Zhe1, Wang Yan-Ting2, Zhou Xin3, †
       

Finite-size effect in the gNPT method determines the phase transition temperature. Data from Fig. 4 is shown in black, the other data is extracted from the simulations with 44800, 5971, and 2030 water molecules, respectively.