Question on harmonic constraints

From: Edward Patrick Obrien (edobrien_at_Glue.umd.edu)
Date: Thu Oct 14 2004 - 19:39:00 CDT

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Hi All,
  I need to constrain the center of mass of a protein to the center of the
box (or sphere). Any one know how to do this?

  Harmonic constraint parameters don't seem to be able to do this, they
just work on atoms (not CM).

  Steered Molecular Dynamics (SMD) may be able to do this (?) if it allows
me to put in 0 velocity for the varialble SMDvel. Hopefully it will accept
0 velocity!

  Any other ideas?

Thanks!
Ed

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