AMBER Archive (2008)

Subject: AMBER: Distance restraints between com of two groups of residues

From: Sudha Mani Karra (
Date: Thu Feb 14 2008 - 16:20:26 CST

Dear Amber users,
              I would like to apply distance restraints between center of
mass of two groups of residues. Each group contains 100 residues. each
residue has around 45 atoms.
I have been using distance restraints by applying to the atoms previously.
But now as I have a big system, I would like to specify the residues instead
of atoms. Moreover the number of atoms in a group are restricted to 200.
Has anyone done this before?? I have gone through some of the archives but
could not find any solution.

Thanks in advance,

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