I want to run MD simulation with NP(z)T ensemble for system of two plates immersed in water.
I am wondering that the correct way combine fix npt and fix move command.
I wrote input below,I am not sure if it is correct. Can any one give me some suggestion?
fix 6 water shake 0.0001 20 0 b 1 a 1
fix 7 water npt temp $T $T 100.0 z 1.0 1.0 100.0 dilate all # control system only on z direcation
fix 8 plates1 move linear 0.0 0.0 0.0 units box #fix plates 1
fix 9 plates2 move linear 0.0 0.0 0.0 units box #fix plates 2
Thank you very much