[gmx-users] Question about g_cluster groups

[Marco Pasi]

Hi all,

I'm using g_cluster with the -dm option to provide a pre-calculated
RMSD-matrix of my trajectory.
I therefore assume than g_cluster won't need to do any RMSD
calculations, since it can take all the distance information it needs
from the xpm matrix.

Nevertheless g_cluster asks me to provide a group for LSQ fitting and
one for RMSD calculation.

Why?

Thank you.

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Marco Pasi, PhD Student
Department of Biotechnology and Biosciences
University of Milan-Bicocca
Piazza della Scienza, 2
20126 Milan - Italy
Phone: +39.02.64483475
E-mail: marco.pasi at unimib.it
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