[gmx-users] Pressure coupling with non-rectangular box
jlmaccal at ucalgary.ca
Wed Jul 31 18:00:21 CEST 2002
I'm currently setting up a simulation of a membrane protien. I want to
use a non-rectangular box to minimize the amount of lipid and water I
need. I'm currently using a box with angles of 90 90 and 60 degrees.
My problem is that I don't know what pressure coupling option to use.
I would like to maintain the box with those angles and just scale the
box vectors. I think anisotropic pressure coupling scales the X Y and Z
size of the box, leading to distortion. Am I wrong about this?
More information about the gromacs.org_gmx-users