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. Just like:
856
1RDX RDX 1 nan nan -nan nan nan -nan
2RDX RDX 2 nan nan -nan nan nan -nan
3RDX RDX 3 nan nan -nan nan nan -nan
4RDX RDX 4 nan nan -nan nan nan -nan
5RDX RDX 5 nan nan -nan nan nan -nan
6RDX RDX 6 nan nan -nan nan nan -nan
7RDX RDX 7 nan nan -nan nan nan -nan
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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