[gmx-users] internal vs external pressure

Lisa M. Perez mouse at isc.tamu.edu
Wed Mar 1 22:06:31 CET 2006

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!


Lisa M. Perez

Lisa M. Pérez, Ph.D.

Manager, Laboratory for Molecular Simulation


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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