severe bug after updating version

[Atomu2014]

Dear authors,

I followed your work and use PoseCheck to calculate clash and strain energy since last year. Recently I pulled your update and re-calculated those numbers and found a severe mismatch between strain energy.

Previously, the 25%, 50%, 75% percentiles of the CrossDocked test set are: 36, 114, 205, quite reasonable. However, after pulling, the numbers become: 1.08, 3.56, 6.19.

This is a BIG PROBLEM.

Can you re-check your updated code to ensure your new version can reproduce your paper results?

I think your last commint in 2023 should be the version of your paper results.

Thanks, Yanru