hello all, I am trying to get the best representative structure of a 40ns MD of a receptor to use for free energy calculations.
I want to have an idea what is the best way to do that. I am using g_cluster with the gromos method. Is there a way to estimate the noise errors of the cluster analysis. Thank you _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
