Hi everyone,

I want to fix cell lengths in a and b directions and observe length change in c direction during dynamics simulation process.

I tried to fix lengths in a and b directions by constraint tools, as shown below. Then a dynamics simulation under NPT ensemble was conducted in Forcite Module. I thought this would work. However, when checking the result, I found that cell lengths in three directions all had small changes. The cell lengths variation during dynamics simulation process is shown below.

I’m wondering whether it is possible to fix cell length in one or two directions in Materials Studio? If yes, how to do this?

Looking forward to your reply. Thank you!