[gmx-users] Re: g_cluster
maggin.chen at gmail.com
Tue Jul 9 13:38:29 CEST 2013
I read the paper Daura(1999)
and other papers:
"Ensemble-based convergence analysis of biomolecular trajectories"(2006)
"Helix propensities of short peptide: Molecular dynamics versus
"Assessing equilibration and convergence in biomolecular simulation" (2002)
but it seems no clearly concrete answer how to operation to do convergence
analysis based on cluster analysis.
So, I still confused a quantitative justification for the simulations'
convergence from g_cluster.
Thank you very much!
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