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uitb / Correlation_Network_Analysis

Correlation Network Analysis for Molecular Dynamics Simulations
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Trouble running the tutorial. #1

Open hypowergravity opened 3 years ago

hypowergravity commented 3 years ago

Dear Sir, I tried running the tutorial data sent in both python2.7 and python3 after conversion of base_func.py (by 2to3-2.7), In 2.7 I get import error in mdtaj, in pyhon3, I am getting "OSError: Malformed XTC file. Number of atoms <= 0. Are you sure this is a valid GROMACS xtc file?" I am sure how to solve the error kindly please help, it would be nice if some information was given about the system. Also the given trajectory is empty. Thank you.

uitb commented 3 years ago

hi，@hypowergravity I'm sorry I haven't noticed your message. I don't know why the trajectory files became empty, and I have updated the files. it works for me now.

hypowergravity commented 3 years ago

Hi Sir, When I try to do with auto build option, I get the following error, If I add auto_build=True in the network, can you please suggest the possible solution. Screenshot from 2021-07-22 17-37-48