GROMACS modification: Yes/No
I was trying to simulate the water evaporation process. I use the water model of TIP4P and the force field of OPLSAA. Steps of energy minimization, nvt, and npt looks good to me. I set the water at 298.15K at 1Bar.
After that, I used simulated annealing to heat the water from 298.15 to 523.15K in 50ns. However, by checking the potential energy, there is no significant fluctuation during the heating process so that I supposed no evaporation happened. Can some give me some suggestions to troubleshoot it? Thanks in advance!