[gmx-users] How to fix interfacial tension in NPT

Souilem Safa safasouilem1 at gmail.com
Thu Apr 18 16:51:39 CEST 2013

Dear Gromacs users,
I have runned a semiisotropic NPT simulation for a membrane, I have fixed
the pressure in x and y axis and I varied it only in z axis to keep a
stable interface. But after simulation the obtained interfacial tension is
far bigger than the experimental value. Experimental is 27 mN.m-1 and the
simulated one was around 38 mN.m-1.
I will be very grateful if you can suggest me which parameters should I
check in order to regulate the interfacial tension value.
Thank you very much

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