something wrong in NPT

Hi all,

Just as Axel said, ‘npt’ was not the right one to describe the system I simulated.

In a word: Wrong volume- wrong pressure-wrong everything.

Anyway, I tried to control the fluid(water) box at pressure 1 atm. I think density controlling(scale the box volume) is also a good solution which could be better for me.

Best,

Hangyan

2011-09-29