how do I restart umbrella sampling calculations?

From: Olya Kravchenko (
Date: Tue Jan 24 2017 - 14:39:12 CST

Hi all,

I have to restart my umbrella sampling calculations that quit due to
hardware failure. What are the restart keywords for the colvars to use in
the configuration file? I found one for ABF (colvarsInput
<inputname>.restart.colvars.stat), but I don't see anything in tutorials or
on this list about restarting US. Will the same option work for umbrella
sampling? Is there anything else to change in the restart files so that
colvar gets updated?

Does anyone have a sample restart file for US? (or ABF! I would appreciate
that too for future reference.)

Thanks in advance!


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