Re: [AMBER] Ligand autoimaging issue Amber18

From: David A Case <david.case.rutgers.edu>
Date: Fri, 1 Mar 2019 08:41:03 -0500

On Fri, Mar 01, 2019, zaid kamal wrote:
>
>I have used Amber18 and being a beginner, I am facing a problem in
>autoimaging the ligand along with the protein. In autoimage command
>only the protein is imaged and ligand dissociates far away at different
>directions. When i tried to center my ligand, then the protein
>fluctuates.

It's pretty unusual, but far from impossible, for autoimage to fail.
Can you say exactly what commands you used? If you haven't done so yet,
be sure to try "autoimage" with no arguments and no other centering
commands.

....dac


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Received on Fri Mar 01 2019 - 06:00:17 PST
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