we do the research about the ion permeability for a protein channel.In previous studies (such as the POT ions), the ions didn't undergo a deep negative energy, the barrier is about 40-50 kj/mol.but recently ,we do the PMF about phosphate ions, which showing a negative energy value (-40).
(1) How could I interpret the negative value? Does it mean the barrier is 40or 80? (2)If the date is credible ,I want to know why the phosphate ions is so different? (3) I put the force field about phosphate into the charmm36,Does it possible that the atomtype for Phosphate is wrong?
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