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?


Hmmm... "Surface tension" is a tricky subject at the microscopic level.
Besides, I'm no expert, so I won't give you a "correct" answer, but only
suggestions.
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).
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.

Regards.

Pedro.
_______________________________________________
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

Reply via email to