[gmx-users] time-block analysis

leila karami karami.leila1 at gmail.com
Wed Oct 31 12:52:12 CET 2012

Dear Chris

Very thanks for your reply.

In addition of your suggested script, in the gromacs, -ee option of
g_analyze produces error estimates using block averaging.

A person suggest me to do time-block analysis to find that my simulation
has converged or not.

You mentioned to "2-column data file that has time in the first column and
some other data in the second column".

To investigate convergence of simulation, what should be as other data in
mentioned file (2-column data file)?

Any help will highly appreciated.

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