Esam
What do you think the rmsd of ONE atom means ?
IN the 'usual' way of fitting the structures before computing the rmsd,
then certainly the rmsd of one atom would be zero. Computationally, this
would not even be possible to compute.
So, what do you really mean by rmsd of one atom ?
On 11/1/11 1:31 PM, Esam Tolba wrote:
> Dear Amber Team
> Is it possible to measure the rmsd of one single atom because i tried using
> ptraj and it gave me this error:
> ERROR in rms: KRMS_ reported Number of atoms less than 2
> *Esam*
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--
Dr. Adrian E. Roitberg
Professor
Quantum Theory Project, Department of Chemistry
University of Florida
roitberg.ufl.edu
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Received on Tue Nov 01 2011 - 11:00:06 PDT
