[gmx-users] help about ibi

[Mark Abraham]

Hi,

Something went wrong earlier in your workflow. Check your log files, etc.

Mark
On Nov 13, 2013 3:57 AM, "guozhicheng222" <guozhicheng222 at 126.com> wrote:

> 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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