[gmx-users] about normal pressure and constant area
reigada at ub.edu
Wed Sep 8 16:27:04 CEST 2004
We are trying to simulate a langmuir monolayer and we would like to
adjust the normal pressure to 1at by scaling the z-axis of the box, and
keepin the box x-y area constant (surface tension will vary). This is
done by Lindahl et al in JCP 113, 3882 (2000).
A possibility to do this is to choose 'surface-tension' option in
pcoupltype and then assign a 0 x,y-compressibility, but we are sure that
there exists a more elegant and direct way to do so.
thank you very much to all contibutors in the list
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