[gmx-users] Re: Justin umbrella sampling tutorial......

[rama david]

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
> converge.
>
>
> -Justin
>
>

With Best Wishes,
Rama David.
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