[gmx-users] can not write coordinate file when running ibi

[cqgzc]

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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