Re: [gmx-users] g_cluster, RMSD distribution

Hi, The distribution is calculated as follows: 101 bins are formed between zero and maximum rmsd in equal separation (by calculating the largest value by 100 to create the separation). Each rmsd value is put into the right bin and the counter for that bin is increased by 1. The total number of cou

[gmx-users] g_cluster, RMSD distribution

Dear All I’m trying to obtain RMSD distribution of a ligand in the binding site of the receptor protein during 40 ns MD simulation. Could you please explain: - what is exactly the yaxis unit of the plot obtained using g_cluster with –dist option - how is this distribution calculated? Thank