Closed IsmaheneMesbah closed 3 years ago
Hi,
I want to perform H bonds analysis, I am following the tutorial:
hbonds = pt.search_hbonds(pdb_file) hbonds.values
I have the following error:
`Traceback (most recent call last):
File "/Users/macbookair/smd_software/readGromacs.py", line 109, in hbonds = pt.search_hbonds(pdb_file)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/decorators.py", line 11, in inner return f(*args, **kwd)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/get_common_objects.py", line 296, in inner kwargs['top'] = get_topology(traj, top)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/get_common_objects.py", line 57, in gettopology return top
UnboundLocalError: local variable 'top_' referenced before assignment`
Hi
traj = pt.load(pdb_file) pt.search_hbonds(traj)
Thank you very much.
Hi,
I want to perform H bonds analysis, I am following the tutorial:
hbonds = pt.search_hbonds(pdb_file) hbonds.values
I have the following error:
`Traceback (most recent call last):
File "/Users/macbookair/smd_software/readGromacs.py", line 109, in
hbonds = pt.search_hbonds(pdb_file)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/decorators.py", line 11, in inner return f(*args, **kwd)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/get_common_objects.py", line 296, in inner kwargs['top'] = get_topology(traj, top)
File "/opt/anaconda3/lib/python3.8/site-packages/pytraj/utils/get_common_objects.py", line 57, in gettopology return top
UnboundLocalError: local variable 'top_' referenced before assignment`