smd and loadforces

From: Leandro Martinez (
Date: Mon Jan 17 2005 - 11:06:50 CST

  Hi all,
  I need to know the SMD force applied to the atoms in my simulation
at every step. I cannot simply use "SMDOutputFreq 1" because this
parameter must be a multiple of "stepspercycle". Of course, I could set
this last parameter to one, but that would be bad for performance. Is there
any way to get the SMD force applied used the Tcl scripting? I have
written a small Tcl script to get the coordinates of the SMD atoms, but I failed
trying to use "loadforces" or "loadtotalforces", and, furthermore, I understand
that these commands will not give-me the SMD force anyway. Does
anybody knows how to do that?
  Thanks in advance,

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