Cations spontaneous binding pathway with PMF calculation?

From: Jiali Wang (
Date: Fri Jan 31 2020 - 08:32:52 CST

Dear NAMD users,
          I am confused about the energy barrier calculation in the
spontaneous binding process. If a Cation spontaneous binding pathway means
in this pathway potential mean force is 0? or does it has meaning to do
PMF calculations if MD simulation already shows the binding pathway?

Thank you!!

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