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

[Terry]

On Fri, Dec 24, 2010 at 5:36 AM, Mark Abraham <Mark.Abraham at anu.edu.au>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?
>
>
Do you mean  energy minimization with pressure coupling?

Terry

>
> Sure, that's in the manual and covered in tutorials.
>
> Mark
>
>
>  Is there a workaround if there is no direct way?
>
> Thanks!
>
> Ting
>
>
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101224/a210e2bd/attachment.html>