[gmx-users] Umbrella samplling

Sathish Kumar sathishk238 at gmail.com
Thu Sep 18 10:42:41 CEST 2014


Hai
       I 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 is looking like this.

[image: Inline image 1]
How can i decide this result is correct. Can any one please explain me.


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