[AMBER] Strip based on distance to point

From: Pietro ARONICA via AMBER <amber.ambermd.org>
Date: Fri, 13 Jan 2023 09:10:10 +0000

Dear all,
What would be the best way to strip all atoms or residues based on a distance to a fixed point of which I have 3D coordinates (for example, a COM of specific residues)? I know that the mask command can be used with a distance operator, but it can only be used with an Amber mask which, AFAIK, cannot specify 3D coordinates. I have thought to maybe add a dummy atom to my trajectory that matches my coordinates but that feels inelegant and convoluted. Is it to use the distance command and then feed that dataset to a strip command?
Pietro Aronica
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Received on Fri Jan 13 2023 - 01:30:03 PST
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