[gmx-users] multiple time step algorithm

[David van der Spoel]

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