[gmx-users] Nose-hoover chains thermostat

James Starlight jmsstarlight at gmail.com
Wed Mar 27 06:45:54 CET 2013


Dear Gromacs Users!


Could someone provide me with the tutorial example with the algoritm
of ussing Nose-Hover chains thermostat. In particular It's not quite
understood for me how I should define number of chains in the mdp file
and how that number would affect on simulation performance (E.g In
literatute I found that infinite chain number should give me maximum
degree of ergodicity for my trajectory assuming modelling in
cannonical ensemble).


James



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