[AMBER] distance to center of geometry

From: Meng Wu <wumeng.shanghaitech.edu.cn>
Date: Tue, 16 Jan 2018 03:27:06 +0000

Dear all,

I want to calculate the distance between a atom and the center of geometry of a protein in MD trajectories. I have imaged the center of geometry to origin and tried ‘distance’ command in cpptraj, but I don’t know how to write mask of the center or the origin, could anybody give me some advices about this or other ways to get what I want? Thank you in advance!

All the best,
Meng Wu

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Received on Mon Jan 15 2018 - 19:30:03 PST
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