[gmx-users] Optimization of the box size during an energy minimization?

[Mark Abraham]

On 24/12/2010 5:17 AM, MyLinkka wrote:
>
>
>       Does anybody know if it is possible to optimize the box size
>       during an energy minimization in Gromacs?
>

Optimize for what criterion?

> Can I make pressure coupling if it's possible?

Sure, that's in the manual and covered in tutorials.

Mark

> Is there a workaround if there is no direct way?
>
> Thanks!
>
> Ting

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