[gmx-users] energy file

Mark Abraham Mark.Abraham at anu.edu.au
Thu Feb 26 08:03:38 CET 2009

jayant james wrote:
> Hi!
> I ran a simulation for 1ns (it was a continious run) and when I analyse 
> the system energy, I find that the energy file has input till only 
> 500pico seconds. Now that I want to extend my simulations I am in a 
> fix!! What could be going wrong? I am using GMX version 3.3.3.

Maybe your file system became full, or your cluster file system was no 
longer accessible to the simulation node, or the simulation was 
interrupted before it completed flushing the buffers. Whatever happened, 
GROMACS did not terminate normally, because if there were any relevant 
.edr parameters to save at simulation end, it would have done so.

If you consult the wiki, you will see some strategies for recovering 
from here.


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