[gmx-users] umbrella simulation PMF curve

[Sarath Chandra]

Your umbrellas are not well spaced. There is a gap at 1.2, 2.25 and around
4.4 which is affecting your pmf profile.

Add more simulations at those points and re-check again.

Regards,

Sarath

On 22 February 2016 at 11:09, Nikhil Maroli <scinikhil at gmail.com> wrote:

> Hello ,
>
> can anyone tell me why im getting profile like this after umbrella
> simulation
>
> im attaching both hist.xvg and profile.xvg plot
>
> histo plot
>
>
> https://drive.google.com/file/d/0BxaQk_pcR9viaGRNQlhrcVVmazQ/view?usp=sharing
>
> profile
>
>
> https://drive.google.com/file/d/0BxaQk_pcR9viMHNOTE5Ba3VlY2c/view?usp=sharing
>
> Thanks
> Nikhil
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