Hello everyone,<br><br>I am using g_cluster with gromos method to do some clustering, and by default, -cl writes the central structure of each cluster obtained.<br><br>So I wonder what 'central structure' mean? Assuming that I cluster based on RMSD values relative to the starting conformation, and that I then get a cluster with 3 structures (RMSD = 0.1, 0.2, 0.3 nm, respectively), should the structure with RMSD = 0.2 nm be the "central structure"? What if there are 4 structures in this cluster, with RMSD = 0.1, 0.2, 0.3, 0.4 nm, respectively?<br>
<br>Thanks for any explanation,<br>Yun<br>