[gmx-users] Regarding Umbrella samplling
sathishk238 at gmail.com
Mon Sep 29 16:09:20 CEST 2014
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.
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.
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