[gmx-users] On the modeling of a shear flow

Gleb Novikov 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!

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