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<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Thanks Pedro,<br><br>if I did not misunderstand you I should go for something like this:<br><br>pcoupl = berendsen
<br>pcoupltype = surface-tension<br>ref_p = 600 1.025<br>tau_p = 5.0 5.0<br>compressibility = 9.8e-5 4.53e-5<br><br>Is it correct?</blockquote>
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<div>Hmmm... "Surface tension" is a tricky subject at the microscopic level. </div>
<div>Besides, I'm no expert, so I won't give you a "correct" answer, but only suggestions. </div>
<div>In the first place, I think your 600 bar.nm value is high for a bilayer. With a little calculation and approximations, it would be equivalent to -20 atm of "lateral pressure" (or, more precisely, lateral components of the pressure tensor -> Pxx and Pyy).
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<div>Also, I would use the 9.8e-5 for the zz compressibility. In fact, this is the most important value, as you can see in pages 26-27 of the manual.</div>
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<div>Regards.</div>
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<div>Pedro.</div><br> </div><br>