Re: [gmx-users] help about ibi

2013-11-13 Thread Mark Abraham
Hi,

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

Mark
On Nov 13, 2013 3:57 AM, guozhicheng222 guozhicheng...@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
 --
 gmx-users mailing listgmx-users@gromacs.org
 http://lists.gromacs.org/mailman/listinfo/gmx-users
 * Please search the archive at
 http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
 * Please don't post (un)subscribe requests to the list. Use the
 www interface or send it to gmx-users-requ...@gromacs.org.
 * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

-- 
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists


[gmx-users] help about ibi

2013-11-12 Thread 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-- 
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists