[gmx-users] restart md from the point it had stopped

Mark Abraham Mark.Abraham at anu.edu.au
Tue Oct 9 08:34:49 CEST 2007


sarbani chattopadhyay wrote:
>  
> hi,
>   I have been running a molecular dynamics simulation for 2 
> nanoseconds.But it stopped in
> the middle because of an internal problem.Is there any way to restart 
> the simulation from
> the point it has stopped?

See http://wiki.gromacs.org/index.php/Doing_Restarts for an expanded 
discussion.

Mark



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