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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.
Farzin
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,
 
Patricia