Dear GMX-users,
I'm simulating lipid bilayer, and since fluctuation is important for
the study of undulation and area compressibility (Ka), I'm also
applying the Parrinello-Rahman and nose-hoover for the pressure and
temperature couplings. When I use the Berendsen, time constants are
like below. When I use the PR, do I need to change time constants?
Thank you for your time and help in advance.
----------------
tcoupl = Berendsen
; Groups to couple separately = tc-grps = DPP W ; Time
constant (ps) and reference temperature (K) = tau_t
= 0.5 0.5
ref_t = 323 323
; Pressure coupling = Pcoupl = Berendsen
Pcoupltype = Semiisotropic
; Time constant (ps), compressibility (1/bar) and reference P (bar) =
tau_p = 1.2 1.2 compressibility = 5e-5
5e-5 ref_p = 1.0 1.0 ------------------
best,
Hwankyu.
_______________________________________________
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
