[gmx-users] Restart

[Mark Abraham]

Mark Zottola wrote:
> I know this will get an rtfm response, however, I am writing this after 
> looking at the online help pages and perusing the email archive.
>  
> Simply put, I have a 750 ps simulation that I want to run for another 
> 750 ps.  Is there a clear explanation somewhere for how one should do 
> this? 
>  
> Specifically, if I shut off the gen_vel option in my mdp file and use 
> the the "-t" option to specify my first trajectory file are these the 
> only changes necessary?  If I keep all other options identical will I 
> get the 750 ps continuation I desire?

For a more complete discussion of the issue, see 
http://wiki.gromacs.org/index.php/Doing_Restarts

Mark