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

[MyLinkka]

Hi Mark,

Forgive me asking a question that may be obvious for experienced GMX users.
I want to quickly verify a problem against some other software, so I temporarily turn to Gromacs.
It would be nice if you could point me out where to find the relevant tutorial or manual chapter.
I couldn't find the solution after a quick browsing the manual.
I'm sorry that I do not intend to spend too much time on learning Gromacs.
Thank you for understanding!

Ting

On 12/23/2010 10:36 PM, Mark Abraham wrote:
> 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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