Re: [gmx-users] representative structure using g-cluster

[EMAIL PROTECTED] wrote: 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 e

[gmx-users] representative structure using g-cluster

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 analysi