Dear all Gromacs users I'm simulating a monolayer at water/vacuum interface with Gromacs and I'm studying surface tension and area per lipid variations. the problem that is very confusing me on this subject is that when I use semiisotropic option to impose a negative lateral pressure and so a specific surface tension , my final area per lipid is very different from surface tension option but when I use my energy files, both of them (surface tension or semiisotropic output) are resulted in a very same surface tensions.so how is it possible that the same surface tension gives different area per lipids? if the procedures are different, which one is more accurate? I appreciate your kind and helpful advises. -- Gromacs Users mailing list
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