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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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