[gmx-users] Re: Justin umbrella sampling tutorial......
ramadavidgroup at gmail.com
Mon May 28 22:18:15 CEST 2012
Thank you Justin for giving your valuable time to solve
my stupid problems.
> You can use either. I have never tried it, but there is no reason to
> believe there will be any substantive reason during data collection. The
> production MD period is significantly longer than the equilibration, and
> the results will likely turn out the same, when considering error
> estimates. Sufficient sampling of any series of simulations should
With Best Wishes,
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