[gmx-users] Question about Andersen thermostat

Size Zheng alexzheng42 at gmail.com
Thu Jan 19 04:39:43 CET 2012


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? 

Many thanks,

Alex


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