[gmx-users] Error after Mdrun

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 20 10:40:47 CET 2009

Nikit sharan wrote:
> Dear all,
>    I need some help in my simulation. I Put system(dppc bilayer) in a
> cubic box then solvated it and made a equlibriation run.There were no
> issues till then.

Check again for warnings, and pay attention to them :-)

>But when i proceded  with the production run , the
> simulation crashes in no more than 5 or 10 steps leaving an error
> message saying ,

Your system is blowing up, probably because it is poorly formed or 
equilibrated. The maximum force post-EM looks far too large. See 
http://wiki.gromacs.org/index.php/Errors and 
http://wiki.gromacs.org/index.php/blowing_up. Try some tutorial material 
on a similar system if you haven't already.


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