[gmx-users] constant surface tension in gormacs

[Ali Shomali]

Dear Justin and all GROMACS users,



I'm simulating a monolayer system using the surface tension command in
gromacs to set the surface tension and obtain the area( per molecule).
Although my system is 2d and uniform : a slab of water covered with
surfactant molecules and the surface tension reaches the desired value
without problem, pxx and pyy are different and they don’t converge to a
similar value. Is this an error or non physical problem? should I use a
barostat with proper values  for each direction instead of surface tension
command  to make pxx=pyy?


Thank you for any help,

Ali