PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
166
stars
76
forks
source link
analyze_results.py:578: FutureWarning: The frame.append method is deprecated and will be removed from pandas in a future version. Use pandas.concat instead. processed_u_nk = processed_u_nk.append(each_structure_block) #106
Dear all,
I once read this issue in this list, but could not find it any more. Not sure if it is due to the same problem, i.e. pandas deprecation.