Hai lammps users
During simulation of water, temperature is reaching to specified value of 373K within 100ps but the pressure not reaching to specified value of 1atm even after 10 million time step. There is large fluctuation. I have tried a lot by changing damping factor and all.I couldn’t capture the error. With reference to the suggestion from the lammps users i have tried to find the average value of pressure for some time steps. it is also found to be fluctuating. Without this i can’t move a little.Now i am attaching my data file and input file. please go through and try to help me.
Thanks a lot for your previous suggestions.
jesseela
waternpt.txt (106 KB)
in.waterNPT5 (1.88 KB)