[gmx-users] Re : keeping the protein in the centre of the simulation box.

[Justin A. Lemkul]

bharat gupta wrote:
> Hi all ,
> 
> I have performed a 3ns simulation and after that I have found that the
> protein has moved out of the simulation box. Can anybody tell how can
> I fix this problem without performing the simulation again ..
> 
> Thanks
> 

One of the most commonly-asked non-problems across this list...

http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions

-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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