Dear Prof. Cheatham,
Thank you for kind support.
I will try that.
Yours sincerely,
IK
-----Original Message-----
From: Thomas Cheatham III [mailto:tec3.utah.edu]
Sent: Thursday, October 27, 2011 5:44 AM
To: AMBER Mailing List
Subject: Re: [AMBER] does CHECKOVERLAP check image cell?
> I am now trying to identify small ligand cluster.
>
> Here I use "checkoverlap" in ptraj modules.
...
> I am feeling that "checkoverlap" checks not only real cell but also image
> cell.
Yes, by default this does check image cells since in fact images could
overlap... To avoid this, add the "noimage" keyword.
--tec3
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Received on Wed Oct 26 2011 - 19:00:03 PDT
