My Simulation does not attain equillibrium. Why?
[A] During execution of the simulation, select the Display 3D-atomic configuration checkbox found in the MD window. You should monitor the progress of your simulation as it progresses from the MiniMon window to verify that the pressure is converging satisfactorily. If the pressure is not being controlled appropriately, and you are using either the NTP or NPH ensemble you should try varying the “Scaling Factor for Piston Mass Parameter” option.
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- My Simulation does not attain equillibrium. Why?
