[gmx-users] what is a central structure

2011-12-29 Thread Yun Shi
Hello everyone, I am using g_cluster with gromos method to do some clustering, and by default, -cl writes the central structure of each cluster obtained. So I wonder what 'central structure' mean? Assuming that I cluster based on RMSD values relative to the starting conformation, and that I then

Re: [gmx-users] what is a central structure

2011-12-29 Thread Mark Abraham
On 30/12/2011 7:49 AM, Yun Shi wrote: Hello everyone, I am using g_cluster with gromos method to do some clustering, and by default, -cl writes the central structure of each cluster obtained. So I wonder what 'central structure' mean? Assuming that I cluster based on RMSD values relative to