On Fri, Dec 24, 2010 at 5:36 AM, Mark Abraham <mark.abra...@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@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-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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