On 3/1/06, Lisa M. Perez <[EMAIL PROTECTED]> 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 [EMAIL PROTECTED]
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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