[gmx-users] umbrella Sampling and PMF- Error estimation

Mohsen Ramezanpour ramezanpour.mohsen at gmail.com
Wed Jul 31 13:00:04 CEST 2013

Hi everyone

How can we have an error estimation for Gibbs binding free energy when
I do umbrella sampling and PMF profile?

Actually I did an umbrella sampling for protein and ligand complex and
I have a PMF profile now but I do not know how much is my error!

Thanks in advance for any suggestion

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