[gmx-users] umbrella histograms

Gavin Melaugh gmelaugh01 at qub.ac.uk
Fri Aug 13 18:08:58 CEST 2010


Cheers and thanks for the suggestions.

P.S. I hope you don't think that the previous msg was in anyway rude. It
was actually a genuine question :)



chris.neale at utoronto.ca wrote:
> Gavin, I wish you the best of luck. Perhaps somebody else on the list
> can help you.
> -- original message --
> Thanks Chris
> I have equilibrated the system at 600 K in a previous run therefore
> would it not be equilibrated, and also would the velocities from the
> final configuration of the equilibration not be sufficient as
> equilibrium velocities going into the main simulation
> Gavin

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