[gmx-users] Fwd: Regarding PMF profile in umbrella samplling

Sathish Kumar sathishk238 at gmail.com
Fri Jul 3 10:26:11 CEST 2015

Dear gromacs-users,

                           Sorry in previous the attached link was not
working.  I have run umbrella samplling for RNA and nanoparticle. For this
system, I got the PMF in which there is no plateau value and it has
constant minimum value. in the last window of umbrella samplling, there is
no interaction between RNA and nanoparticle and even though adding of more
windows also I am not getting plateu value in PMF profile. From this
profile can i calculate the binding free energy? please suggest me.

The link for the PMF profile




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