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Error when positioning molecules together #40

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rvhonorato opened this issue Mar 15, 2022 · 0 comments
Open

Error when positioning molecules together #40

rvhonorato opened this issue Mar 15, 2022 · 0 comments
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@rvhonorato
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 2022-03-15 16:46:05,425 geometry:30 INFO - Positioning molecules in starting conformation
Traceback (most recent call last):
  File "/home/gdock/anaconda3/envs/gdock_server/bin/gdock", line 33, in <module>
    sys.exit(load_entry_point('gdock', 'console_scripts', 'gdock')())
  File "/home/gdock/gdock/src/gdock/cli.py", line 66, in main
    geo.calc_initial_position()
  File "/home/gdock/gdock/src/gdock/modules/geometry.py", line 44, in calc_initial_position
    r_rest_c -= r_center
ValueError: operands could not be broadcast together with shapes (0,) (3,) (0,) 
@rvhonorato rvhonorato added the bug Something isn't working label Mar 15, 2022
@rvhonorato rvhonorato self-assigned this Mar 15, 2022
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