Re: [AMBER] How to restraint proteins to an axis

From: Matthew Guberman-Pfeffer via AMBER <amber.ambermd.org>
Date: Sun, 23 Oct 2022 18:31:31 -0400

Follow-up: For future reference, I remembered that the fxyz keyword in the restraint file is exactly what I need to restrain the centers of mass of two proteins to be at distances of (X, 0, 0), where X > 0.

Best,
Matthew


> On Oct 21, 2022, at 4:53 PM, Matthew Guberman-Pfeffer <matthew.guberman-pfeffer.uconn.edu> wrote:
>
> Dear AMBER Community,
>
> I want to restrain the centers of mass of two proteins to the x-axis. I tried a distance restraint, but one protein drifts in the y and z dimensions while maintain the specified overall distance. How can I keep the proteins at the same distance and only along the x-axis?
>
> Best,
> Matthew


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Received on Sun Oct 23 2022 - 16:00:02 PDT
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