[gmx-users] pressure coupling

[Daniela S. Mueller]

hi ninoo,

if the pressure coupling is off, your system will be of constant volume 
during the run. with pressure coupling on, the pressure will be adjusted 
via the volume to keep the reference pressure.

daniela


ninoo mani wrote:
> Dear gmx users
> I have recently started using GROMACS. I have a little
> doubt about few concepts.
> In mdrun consider two systems 1. Peridic boundary
> condition on, temperature coupling on and no pressure
> coupling.
> 2. Periodic boundary condition on, temperature
> coupling on and pressure coupling on.
> What are the differences between these two systems?
> Thanks
> Ninoo

-- 

Daniela S. Mueller

Diplom biologist
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-Molecular Dynamics Group, UQ -

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- MD group, RuG -

Address:
Molecular Dynamics
Dept. of Biophysical Chemistry
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Email: d.s.mueller at rug.nl

Website: http://www.rug.nl/gbb/md
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