[gmx-users] Error bar in alchemical free energy calculation, alchemical_analysis

Alex alexanderwien2k at gmail.com
Sun Apr 16 11:29:57 CEST 2017

Dear gromacs user,

I was wondering how error bar in relative binding free energy calculation
is estimated? I mean the thermodynamic integration (TI) method using the
alchemical_analysis python tools.
Any reference also would be highly appreciated.


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