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Inconsistent results between TI, EXP, BAR, MBAR

Status: Open.

#126 In MobleyLab/alchemical-analysis;

· qinghualiao opened on Oct 20, 2021

Overlap Matrix with MBAR issue: KeyError=2

Status: Open.

#125 In MobleyLab/alchemical-analysis;

· Alfa-1 opened on Sep 15, 2020

O_Matrix from TI simulation of AMBER with the MBAR

Status: Open.

#121 In MobleyLab/alchemical-analysis;

· geraili-hosein opened on Feb 21, 2020

Questions about the inconsistent results of TI, BAR and MBAR by using alchemical-analysis

Status: Open.

#118 In MobleyLab/alchemical-analysis;

· lpfSTX opened on Jul 9, 2019

Plans for librarifying alchemical-analysis functionality using alchemlyb

Status: Open.

#111 In MobleyLab/alchemical-analysis;

· harlor opened on Oct 19, 2018

alchemical-analysis.py not computing BAR/MBAR results

Status: Open.

#97 In MobleyLab/alchemical-analysis;

· mqbpksi2 opened on Jan 26, 2017

Continuing a FEP alchemical

enhancement

help wanted

Status: Open.

#96 In MobleyLab/alchemical-analysis;

· AlexanderWi opened on Jan 23, 2017

Overwriting .xvg files

Status: Open.

#95 In MobleyLab/alchemical-analysis;

· jpthompson17 opened on Jan 16, 2017

Make py3 compatible

Status: Open.

#94 In MobleyLab/alchemical-analysis;

· davidlmobley opened on Jan 12, 2017

multicore / gpu compataibility

Status: Open.

#91 In MobleyLab/alchemical-analysis;

· raziel81 opened on Aug 25, 2016

Automated equilibration detection

Status: Open.

#88 In MobleyLab/alchemical-analysis;

· matteoaldeghi opened on Apr 28, 2016

index 40 is out of bounds for axis 0 with size 40

Status: Open.

#87 In MobleyLab/alchemical-analysis;

· sanasaeed opened on Apr 25, 2016