When I am running the ibi procedure, I get the following error message:


                                     A coordinate in file conf.gro does not 
contain a '.'

Additionally, I check the coordinate file of confout.gro in step_001. It showed 
that 'nan' symbol appeared in confout.gro.

What is wrong with this? How can I fix it? I am very appreciating for anyone's 

Best Wishes!

Zhicheng Guo
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