water contact angle problems during MD process

Hi, everyone ! 

I am trying to Material Studio to study the wettability of my MOFs crystal. I used the script of JD's water contact angle and it didn't work. the water molecules always spread away instead of maintain its sphere shape during the Forcite NVT process. and the script couldn't work after I fixed the coordinates of the water molecules. I find the example which was given is different that all the atoms in the cell moved very tiny in 298K which I haven't seen. is there any thing I make it wrong? please help. 

here is my crystal cell. 

Thanks!