Please be advised that the date of scheduled maintenance has been changed to Monday, June 17, 2024 beginning at approximately 8 am PDT/11 am EDT. Expect a minimum downtime of approximately 4 hours, barring any difficulties. All running tool sessions will expire during the maintenance window, please plan accordingly. We apologize for any inconvenience.
The simulation is performed in the NVT ensemble which fixes the number of molecules, volume, and temperature at constant values during the simulation. The number of CO2 molecules is 100, the box size is 30 x 30 x 30 angstroms, and the temperature is 300 K. The pressure is not fixed during the simulation. Also, apparently, the simulation may not currently be set up to compute the pressure during the simulations.
1 Like 0 Dislike
Thomas A Manz @ on
The simulation is performed in the NVT ensemble which fixes the number of molecules, volume, and temperature at constant values during the simulation. The number of CO2 molecules is 100, the box size is 30 x 30 x 30 angstroms, and the temperature is 300 K. The pressure is not fixed during the simulation. Also, apparently, the simulation may not currently be set up to compute the pressure during the simulations.
Reply Report abuse
Please login to answer the question.