[gmx-users] surface tension coupling

Rongliang Wu wurl04 at iccas.ac.cn
Wed Dec 21 12:57:54 CET 2005

Hello gmx-users,
      my symulation system is two seperately eqilibriated phases seperated by a interface, i used NVT ensemble to calculate the surface tension. but the mannual3.2 page 26 said the surface tension will only work with Berendsen coupling algorithm. then the surface tension i get from NVT(by setting pcoupltype=no) is wrong? and how will the surface tension calculation work for surface tension coupling type if this only works for Berendsen coupling type?  



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

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