[gmx-users] Using nose-Hoover thermostat with berendsen barostat

jay patil jpatil911 at gmail.com
Tue Jul 18 13:43:18 CEST 2017

Hi Experts,
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.



More information about the gromacs.org_gmx-users mailing list