(no subject)


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

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).