[gmx-users] Pressure coupling for anisotropic system

[Anton Feenstra]

hiroo_fukunaga at fujifilm.co.jp wrote:
> Hello gmx users,
> 
> I do not know how to make .mdp file for the simulation of an anisotropic system,
[...]
> What  values and how should I input for tau_p and compressibility.

They are normally the same values as for isotropic scaling. In some
cases it may be necessary to adjust them, e.g. when a bilayer is
significantly less compressible than the water layers around it.

Check the list archives. It is discussed quite often.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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