[gmx-users] multiple time step algorithm

[Cristina GRECO]

Dear David av der Spoel

Thanks for answering. I was just curious to know why you chose not to implement them.
Have a nice day


On Tue, 13 May 2008 12:00:43 +0200, David van der Spoel said:
> 
> Cristina GRECO wrote:
> > Dear Gromacs users and developers,
> > 
> > it seems to me that Gromacs does not allow for multiple time step nor  
> adaptive timestep MD. Is that correct or did I miss something? If that's 
> true what's the reason ? For example, would there be problems in running 
> such algorithm in parallels?
> > 
> > Thanks to all
> 
> Because no one implemented it.
> 
> > 
> > Cristina Greco
> > 
> > 
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> 
> -- 
> David van der Spoel, Ph.D.
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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