Hi,
This is fairly typical behaviour in my experience. Your free energy values
will probably start to converge with much more strict tolerances, eg
0.00000001.
Marc
On 17 Oct 2016 22:21, "Thakur, Abhishek" <axt651.miami.edu> wrote:
> Hi everone,
>
> While doing WHAM analysis my free energy keep on changing with tolerance.
>
> When I am using 0.001 tolerance it is 25Kcal/mol
>
> II I am using 0.0001 it is around 35Kcal/mol.
>
>
> I am unable to get which value to trust.
>
> Any suggestion will be highly appreciated.
>
>
>
> thanking you,
>
> Abhsihek
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Received on Mon Oct 17 2016 - 15:00:02 PDT
