Potential Crash ESP Fitting

[misterbrandonwalker]

Hello,

I seem to have found a strange case where potential crashes during esp fitting for multipoles and there is no apparent reason why. I was hoping for some insight.

Files have .txt extension since github wont let me upload other extensions.

Thanks for your time,

• Brandon 1645.key_2.txt 1645.xyz_2.txt 1645_fortinker.pot.txt 1645_pymolvis.xyz.txt test.in.txt test.out.txt

[misterbrandonwalker]

Looks like user issue with MM grid not consistent with QM lol