Setting up the range for movement of protein in umbrella sampling

From: Rabeta Yeasmin (
Date: Fri Jun 16 2017 - 16:21:55 CDT


I am trying to run umbrella sampling of a protein-lipid system. I have put
protein at different height in z direction from the lipid in different
windows. In each windows, I want the protein to move in a way that the
distance of the centre of mass of lipid and protein vary in a range of 2A
above and below of the current position of the protein. I am not sure which
parameter will allow me to do that. I have tried using width and setting
lower and upper boundary. But it did not work.

Can anyone please help me?

Rabeta Yeasmin

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