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

[Alex]

Any idea please !
Thanks
Alex

---------- Forwarded message ----------
From: Alex <alexanderwien2k at gmail.com>
Date: Sun, Apr 16, 2017 at 11:29 AM
Subject: Error bar in alchemical free energy calculation,
alchemical_analysis
To: gmx-users at gromacs.org


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.

Regards,
Alex