normal Calculate binding energy

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10 years 10 months ago #1645 by thu nguyen
Calculate binding energy was created by thu nguyen
Dear all,

I want to calculate the binding energy of two proteins. Can i set up umbrella sampling simulation with Martini to get PMF ?
Is there any another method for determining binding energy with Martini FF ?

Thankful for any idea!
Thu

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10 years 10 months ago #1646 by djurre
Replied by djurre on topic Calculate binding energy
Probably an umbrella sampling simulation is indeed your best shot.

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