Hi, I want to use the option of E_x = 1 0.01 0 to add an electric field to the simulated system in NVT ensemble.
Because there should exist an no zero velocity of center-of-mass in the x direction. It seems that it is wrong to directly use the nose-hoover to control the temperature. it is also not reasonable to use nstcomm = 1, because the velocity of center-of mass in the x-axis should be kept when runing. So, How to control the temperature? When calcating the temperature in the process of simulations, how to exclude the velocity of center-of-mass of x direction for controling the right T? Thanks in advance. -- wade
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