Dear Gromacs users,
I am trying to find a method to obtain a fixed
number of clusters (using g_cluster) from a MD simulation. The search of
clusters is very "manual", depending a lot of the cutoff selected for
the analysis. Is there any way to calculate a fixed number of clusters
from a MD simulation, in such way that the program calculates the proper
cutoff to provide the exact number asked by the user?
Best wishes,
Rebeca.
Dr. Rebeca Garcia
Santiago de Compostela University
Spain
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