[gmx-users] On the modeling of a shear flow
blue.bossa87 at yahoo.com
Fri Jul 28 17:30:34 CEST 2017
Dear GROMACS Users,
I am interesting in the work-flow of the shear flow modeling in GROMACS.
I am dealing with a complex MARTINI CG membrane system consisted of several proteins embedded within big POPC-cholesterol bi-layer solvated in non-polarizable water. Within this system I would like to introduce a shear flow in form of a force gradient acting in a specific direction along the X or Y plane resulting in a directed acceleration of water on the surface of the membrane, thus mimicking a flow.
I will be grateful for any ideas how this could be modeled in Gromacs e.g special setups for Barostats or more complex cases using steered codes of GROMACS?
Thanks in advance!
More information about the gromacs.org_gmx-users