Traceback most recent call last File homesunminiconda3binpdb4amber line 33 in module sysexitload_entry_pointpdb4amber==17dev0 console_scripts pdb4amber File homesunminiconda3libpython39site-packa

This error occurs because the index i + 1 is out of range for the list N_atoms.

To fix this issue, you need to check the range of the loop where N_atoms is being accessed. Make sure that the loop does not exceed the maximum index of N_atoms.

You can also add some error handling code to handle such cases where the index is out of range. For example, you can add a condition to check if i + 1 is within the range of N_atoms before accessing it. If it is out of range, you can skip that iteration or handle it in an appropriate way.