hi, Justin 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 bioinformatics" (2003) "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! maggin -- View this message in context: http://gromacs.5086.x6.nabble.com/g-cluster-tp5009690p5009696.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
