On 14/08/2012 6:16 PM, Emanuel Birru wrote:
I am not sure whether a pressure coupling equilibration enlarges the specified
box size of the simulation :)
It can.
if the box size is not appropriate to maintain the pressure coupling the
simulation probably blow up instead of adjusting the b
I am not sure whether a pressure coupling equilibration enlarges the specified
box size of the simulation :) if the box size is not appropriate to maintain
the pressure coupling the simulation probably blow up instead of adjusting the
box size to a bigger one.
For more info check the following
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