[gmx-users] I want to add 460 molecules into a box

[Justin Lemkul]

On 10/8/12 2:49 PM, Ali Alizadeh wrote:
> Dear users
>
> I want to add 460 molecules into a box but i can not add more than 400
> molecules,
>
> genbox -ci het.gro -nmol 460 -box .......
>
> Even, when i change VanderWaals radii( i reduce it,vdwwradii.dat ) but
> maximum molecules to be 440.
>
> Decrease more than it, atoms overlap,
>
> How to can i add my number of molecules(460) into system?
>

Use a bigger box.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Research Scientist
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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