Dear all,

Enclose here is the grapgh of PMF of a small drug molecule in two different lipid systems using Gromacs steered MD and Umbrella sampling methods. 

The PMF for both systems are showing a negative energy value. PMF comparison indicating a significant difference at the hydropholic region of for my drug transport.

Is it right to say that the drug transport is more spontaneous (black graph/System-I) as compared to the green graph/System-II?

I hope to receive your comments and suggestions for a fruitful interpretation.

Thanking you

Sincerley

Bikash

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