Hi:
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
help.
Best Wishes!
Zhicheng Guo
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