[AMBER] ligand shift

From: Nadia Li <amber.nadiali.gmail.com>
Date: Mon, 8 Sep 2014 12:03:00 -0700

Dear amber users,

I am running a protein-ligand complex, and in my production run, I found in
the first 6 ns, the ligand was outside of the binding site, but then it was
back in the binding site.The binding site is shallow which may explain why
at the beginning the ligand shifted away from the site, but I don't
understand how come it is back to the site later? Could anyone explain
Thanks for your help in advance!

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Received on Mon Sep 08 2014 - 12:30:02 PDT
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