[gmx-users] Regarding Umbrella samplling

[Sathish Kumar]

Dear gromacs usres,

 I have run the umbrella sampling with the help of tutorial of justin....In
my system rna is binding with gold nanoparticle...to find out the binding
energy i run the umbrella sampling using the space 0.2 nm and i got total
59 configurations, each configuration was run for 5 ns. The profile files
are shared with the link below.


https://www.dropbox.com/s/c8tj2rhu620xkim/Slide1.JPG?dl=0

https://www.dropbox.com/s/745kixwrfvguyyt/Slide2.JPG?dl=0

In the profile image, i have not got the plateu value, can i take the
difference between final and starting pmf values for  the binding enrgy.
Please give suggestions.


regards
M.SathishKumar