[gmx-users] Question about Andersen thermostat

Justin A. Lemkul jalemkul at vt.edu
Thu Jan 19 04:43:40 CET 2012

Size Zheng wrote:
> Dear All,
> We are doing a simulation for ice melting in Efield with thermostat. We would
> like use Andersen thermostat to couple the temperature but found that it is
> not implemented yet, even on the latest version of GROMACS. Is there any way
> we can employ Andersen thermostat directly on GROMACS or we need to write
> extra scripts by ourselves?

The Andersen thermostat is not yet implemented.  It will appear in a future 
version of Gromacs (likely the next).



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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