From: Stern, Julie (jvstern_at_bnl.gov)
Date: Wed Feb 23 2005 - 15:07:19 CST
During minimization it is giving the error:
Warning: Not all atoms have unique coordinates.
But, my coordinates are unique up to a sign, i.e.
two coordinates may be x, y, z and x, -y, and z.
Is that what namd doesn't think are unique?
Those are hydrogens.
What does this warning mean and is this a problem?
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