[gmx-users] the box lengths

[Justin A. Lemkul]

#ZHAO LINA# wrote:
>  Hi,
> 
> First time I meet this problem,
> ERROR: One of the box lengths is smaller than twice the cut-off length. 
> Increase the box size or decrease rlist.
> I just followed the advice increase the box size, I tried twice in the 
> editconf about the box size, actually this box is really large enough 
> for the testing consideration, but still has the same problem.
> 

Well, what are your box vectors?  If they are < 2 nm, you will get this error 
because of the minimum image convention.

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

-Justin

> integrator      = steep
> emtol           = 1.0
> nsteps          = 500
> nstenergy       = 1
> energygrps      = System
> 
> ns_type         = simple
> coulombtype     = cut-off
> rcoulomb        = 1.0
> rvdw            = 1.0
> constraints     = none
> pbc             = xyz
> 
> Thanks for any advice,
> 
> Best regards,
> 
> lina
> 

-- 
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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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