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Farzin KumarFarzin Kumar 

Why dosn't the cell length change under pressure?

Hi all,

I simulated a periodic box including a graphene sheet at the middle (Fig. is attached). I did some NPT dynamics under the atmosphere pressure, but the length of the box didn't reduced in C direction (normal to graphene). This also happens when some polymer chains are packed into the empty space of the box with low density (e.g. 0.5 g/cm3). What is the reason?

User-added image

Thank you in advance.
PatriciaPatricia (Accelrys) 
Dear Farzin Kumar,
The Community Support TOPIC is for information and questions around using the BIOVIA Community and reporting a website problem or suggestion (e.g. broken link(s), information unclear, missing or incorrect).
You will likely have more responses if you post your question in the “Materials Studio" TOPIC.
Kind regards,