UserWarning: Reload offsets from trajectory ctime or size or n_atoms did not match

17 views
Skip to first unread message

Viswanath Vittaladevaram

unread,
Jun 15, 2022, 7:54:15 AMJun 15
to mdnalysis-...@googlegroups.com

Hi,


I am using this command below and getting this error. Can 


python traj_cv.py -g fnIII-13_SAMch3_T298_0.gro -x fnIII-13_SAMch3_T298.trr -o fnIII-13_SAMch3.cv --prostart 1 --prostop 92c


/opt/local/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages/MDAnalysis/coordinates/XDR.py:196: UserWarning: Reload offsets from trajectory ctime or size or n_atoms did not match

  warnings.warn("Reload offsets from trajectory\n "


I need help on this!


Regards,

Viswanath.V


Hugo Macdermott-Opeskin

unread,
Jul 22, 2022, 11:27:25 PMJul 22
to MDnalysis discussion
Hi Viswanathan

Without knowing more context it is difficult to know why this warning is occuring, but in general it just means that the numpy offsets (a hidden file used to help in reading of trr file) are being regenerated on disk.
This should be relatively harmless. 

Cheers

Hugo
Reply all
Reply to author
Forward
0 new messages