Pedro Alexandre de Araújo Gomes Lapido Loureiro wrote: > > > "The first ref_p value is the reference surface tension times the > number > of surfaces [bar nm]," > > I have a lipid bilayer membrane su I guess I should multiply by 2 the > surface tension value for which I do not have any guess about its > value. > > > No. If you choose, as an example, 300 bar.nm (wich, by the way, is > equivalent to 30 dyn/cm), you are saying each monolayer will > experience 150 bar.nm. > > > > "the second value is the reference z-pressure [bar]." > > > Any suggestion on how I could complete the surface tension > coupling set up? > > > You could use the compressibility of pentadecane at 50 C > (Sorry, I don't have the reference for this value right now.) > : 9.8 E-5 bar**-1 > > Regards. > > Pedro. > > Thanks Pedro,
if I did not misunderstand you I should go for something like this: pcoupl = berendsen pcoupltype = surface-tension ref_p = 600 1.025 tau_p = 5.0 5.0 compressibility = 9.8e-5 4.53e-5 Is it correct? _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
