[gmx-users] choosing box vectors

[Justin Lemkul]

On 6/14/13 8:08 PM, gromacs query wrote:
> Dear Justin,
>
> I saw your tutorial (
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html
> )
>
> But my case is different. I can not even generate tpr file (trjconv as
> tutorial says) as it need box info
>
> Can you please suggest what can be the best possible way? If I just use
> system size dimension (X, Y Z) and do mimization it break my system in
> parts!
>
>
> How to choose optimum box vector in such case?
>

Omit "-bt cubic" from your command and it should work fine.

-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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