[gmx-users] umbrella sampling restart

[Justin A. Lemkul]

Vijayaraj wrote:
> Hello,
> 
> Can we restart the umbrella sampling simulation after some 10 or 15ns 
> simulation using the cpt and gro files generated from the previous step. 
> I am not sure whether it will take force generated from the previous step.
> 

Yes, you can use a .cpt file to restart any sort of run.

-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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