I am using the following two commands to measure the shear properties of a system containing ~3000 atoms in periodic boundary conditions (ppp):
fix therm all nvt/sllod temp 300 300 100 tchain 1
fix distort all deform 1 xz erate 1e-5 remap v units box
For shear, I’m going to examine Pxz. In this respect, the 6 components of pressure tensor (Pxx, Pyy, and etc) outputed every 500 steps (time step 0.25 fs) show significant fluctuations, in the order of 1e8 Pa. However, the running average shows a steady trend. Is this much fluctuations normal when using this technique?