[gmx-users] internal vs external pressure

[Viswanadham Sridhara]

Surface tension part in Gromacs manual explains its well.

On 3/1/06, Lisa M. Perez <mouse at isc.tamu.edu> wrote:
>
>
>
> I have a question about the definition of lateral pressure.  Many of the
> papers
> that I have read that have used gromacs for dppc/water models have used a
> negative value (-10, ..., -100, etc) for the lateral pressure (X and Y)
> and
> 1atm for the Z direction.  Is the lateral pressure the external or
> internal
> pressure as implemented in gromacs?  If it is interanl pressure than I
> would
> expect the cell to contract in the x and y direction. Is this correct?
>
> Any information would be greatly appreciated!
>
> Sincerely,
>
> Lisa M. Perez
>
> ------------------------------------------------------------
> Lisa M. Pérez, Ph.D.
>
> Manager, Laboratory for Molecular Simulation
>
> http://www.chem.tamu.edu/LMS/
>
> Texas A&M University               mouse at mail.chem.tamu.edu
> Dept. of Chemistry                 Chemistry Bldg. RM. 2109
> P.O. Box 30012                        office (979) 845-9384
> College Station, TX 77842-3012           fax (979) 845-2971
>
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--
Viswanadham Sridhara,
Graduate Research Assistant,
Old Dominion University, "VIRGINIA".
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