[gmx-users] Negative pressure

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jun 8 07:54:11 CEST 2011


On 8/06/2011 3:47 PM, Francisco Garcia wrote:
> Dear user,
>
> What is the physical significance of negative average pressure in NVT
> MD simulations?

As you'll see searching the list archives, it means the box wants to 
contract - if you've simulated long enough on a large enough system to 
have a meaningful average pressure.

Mark



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