[gmx-users] still got the problem with the output of g_cluster

[OZGE ENGIN]

Hi all,

I have still got the problem with the second column of the output of g_cluster with -dist option. Xavier said that the a.u stands for arbitrary unit and I think it gives the histogram of rmsd value distribution. If so, I can not understand why the total of this column is not equal to the total number of conformations obtained from the simulation.

Thanks in advance 
Ozge Engin
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Computational Science & Engineering
Koc University