[gmx-users] multiple time step algorithm

Cristina GRECO cristina.greco at studenti.unipd.it
Tue May 13 11:47:54 CEST 2008


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

Cristina Greco


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