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1

Hi,

I try to apply torsion on a cylinder by fixng one end and rotating the other a constant increment of the twisting angle , After each rotation increment , I want to relaxe the whole cylinder a certain time while restraining bothsides , However, I don’t want to use fix setforce because I also want to calculate the total torque which is related to the atoms forces of the loading end.

Can I just use “fix move rotate” but setting a extremely big period , as if the end is restrained and keeping the atoms forces?.

thanks in advance

2

If you want restrain both ends, you need to use fix setforce with
the minimization. You can still get the force on the setforce atoms
by using fix store/force and dumping those forces (for example).

Steve