[gmx-users] Re: convergence

Gavin Melaugh gmelaugh01 at qub.ac.uk
Mon Jun 20 10:27:35 CEST 2011


Please ignore my last question, I have found the answer using the g_wham
-h option

Cheers

Gavin

Gavin Melaugh wrote:
> Hi all
>
> I have generated a PMF curve over 15 ns. Does g_wham have a facility
> whereby I can calculate the PMF over say 7 ns, to check for convergence.
> There doesn't seem to be anything in the manual.
>
> Many thanks
>
> Gavin
>
>   




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