[gmx-users] Question regarding the concept of ensembles

ali.khourshaei71 at student.sharif.edu ali.khourshaei71 at student.sharif.edu
Mon Feb 20 14:14:41 CET 2017


Dear Justin, 

Thanks very much for your response. I have one more question regarding
your answer to Question 4. Although A long tau-p means the box vector
can change very slowly in response to the computed pressure, if for
instance I choose tau-p= 100000 for my lipid bilayer system, I will
notice that the length of simulation box won't change at all. So, Can I
conclude that if I choose a very very large tau-p, it will be equivalent
to compressibility =0 ? I think based on the formulation of berendsen
pressure coupling I can claim that. Can't I? 

Sincerely,


More information about the gromacs.org_gmx-users mailing list