[gmx-users] Using nose-Hoover thermostat with berendsen barostat
jpatil911 at gmail.com
Tue Jul 18 13:43:18 CEST 2017
Can we use nose-Hoover thermostat in combination with berendsen barostat. When I use grompp command, it gives warning berendsen will not give true ensemble, and with -maxwarn 1 option I am able to run the simulation. My doubt is: can we use this combination of thermostat and barostat. Or both should be berendsen.
Any suggestion will be helpful.
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