[gmx-users] help about ibi

[guozhicheng222]

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