normal Ask about thermostat and pressure coupling

  • yongle
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8 years 4 months ago #963 by yongle
Dear all,

I'm a new user of MARTINI, and now have finished the tutorials of lipid bilayer.
But I still have a question about the thermostat and pressure coupling.
Both the thermostat and pressure coupling methods used in tutorials is Berendsen,
while there is still Nose-Hoover thermostat and Parrinello-Rahman pressure coupling in gromacs.
So can I use one or both of them in CG simulation, especially in the CG simulation of membranes?
If so/not so, is there any reference of this topic?

Thanks!

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8 years 4 months ago #965 by durbignon
Replied by durbignon on topic Ask about thermostat and pressure coupling
The MARTINI force-field was parameterised with the Berendsen theromostats and as a rule of thumb, you should stick to the parameters and options the force-field was parameterised with. If you want to deviate from these, you should test everything again!

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8 years 4 months ago #966 by yongle
Replied by yongle on topic Ask about thermostat and pressure coupling
Thanks!

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