[gmx-users] number of clusters over time

Piggot T. T.Piggot at soton.ac.uk
Fri Nov 28 11:54:03 CET 2014


You can parse the output of -clid with a fairly simple script to obtain what you need.


From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Steven Neumann [s.neumann08 at gmail.com]
Sent: 28 November 2014 03:51
To: Discussion list for GROMACS users
Subject: [gmx-users] number of clusters over time

Dear Users,

Would anyone suggest which option of g_cluster provides the number of
clusters gained over the simulation time? It would be an increasing plot
reaching plateau when the simulation is converged.

Please advise,

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