Dear Zhicheng Please clearly specify the steps performed by you. Also copy and paste the commands from terminal. One can hardly understand from this.,
Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Tue, Nov 19, 2013 at 10:05 AM, 郭志成 <[email protected]> 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. 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 > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To post to this group, send email to [email protected]. > Visit this group at http://groups.google.com/group/votca. > For more options, visit https://groups.google.com/groups/opt_out. > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at http://groups.google.com/group/votca. For more options, visit https://groups.google.com/groups/opt_out.
