FHIBioGroup / fafoom-dev

Continuing development of genetic algorithm for biomolecules in different environments
GNU General Public License v3.0
4 stars 2 forks source link

Atoms being forgotten upon GA operation #4

Open mahrossi opened 7 years ago

mahrossi commented 7 years ago

We have observed a bug in some larger structures, where hydrogen atoms were apparently left behind when rotating part of the molecule. Must check that this is fixed by the infrastructure overhaul.