[AMBER] Few workflow-LIE

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Tue, 18 Aug 2020 23:15:04 +1000

Dear List,

I came across Amber tutorial on the FEW workflow. We have performed
simulations of protein-ligand complex and ligands using explicit solvent.
Is there a way to perform LIE analyses in amber 16 without using the
workflow (bypassing the initial MD simulations, file preparation steps,
etc)? Or does LIE calculation require particular folder /file format as
reported in the tutorial?

Thank you for your time

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Received on Tue Aug 18 2020 - 06:30:04 PDT
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