[gmx-users] g_cluster

[Nuno R. L. Ferreira]

----- Original Message ----- 
From: "Andrew Beevers" <A.J.Beevers at warwick.ac.uk>
To: <gmx-users at gromacs.org>
Sent: Friday, March 18, 2005 11:57 AM
Subject: [gmx-users] g_cluster


Hi All

Is there any output form g_cluster which states the time-step of the
selected lowest RMSD structure?
Thankyou in advance


Hi Andrew

I think not. The only thing you get from g_cluster is a profile distribution
the nº of combinations vs the RMSD (and the cluster families of course).
But I suppose that if you decrease your cutoff, you will get more clusters,
and eventually, you could work with the representative structure of the
cluster with the lowest mean-RMSD.

Regards
Nuno