[gmx-users] Re: multiple time step

Vitaly Chaban vvchaban at gmail.com
Tue Jun 29 17:58:54 CEST 2010


An interesting question...

BTW, is there any philosophy of gromacs developers to avoid this
algorithm in the MD engine?


> multiple timesteps are not possible as far as gromacs 4.0.7. NAMD can do this.
> -- original message --
> Is it possible to carry out  multiple time step  molecular
> dynamics simulations
> in Gromacs
> 4.0. versions ? Could you
> please give me some information about this issue ?
> Thank you very much for your attention.

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