Hi, I was trying to calculate the pressure tensors for one of my solid crystal systems. I notice that g_energy does have this option---pressure xx, pressure yy and pressure zz, however the results seem to be a function of running time. How can I extract information about pressure tensor at different position of my solid system? If gromacs allows me to do so, do I need to integrate the tensor value from one position to another position? Thanks very much for reading! Your kind help is greatly appreciated.
-- Weilong Zhao Graduate Student Department of Polymer Science University of Akron Akron, OH 44325
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