Different trajectories with and without restarting

From: Grzegorz Nawrocki (aksonik_at_gmail.com)
Date: Fri May 15 2015 - 18:09:57 CDT

Dear NAMD users,
I have noticed that NAMD does not generate the same trajectory when a
simulation is run with and without restarting. I tested it using very
simple system - it consists of two atoms. I used a single core, temperature
coupling, constant volume and mostly default parameters. Please find the
enclosed input files for a short simulation.

Without restarting NAMD everytime generates the same trajectory, as well as
with restarting, but both trajectories, i.e. with and without restarting,
are becoming more and more different with every restart.

Is it a bug or I set something wrong?

Best regards,

Grzegorz Nawrocki

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