[gmx-users] fixed number of clusters from a MD simulation

[Rebeca García Fandiño]

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