[gmx-users] Job crashed

[Justin A. Lemkul]

Steven Neumann wrote:
> Hi Gmx Users,
> 
> My job crashed after 87 000 000 steps out of 100 000 000 as I run out my 
> quota. Please, suggest me a command to start my simulation from the 
> point it crashed obtaining on md.trr file at the end. Do I have to use 
> grompp again?
> 

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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