[AMBER] QM-MM atoms input

From: Shruti Koulgi <koulgi.shruti.gmail.com>
Date: Mon, 12 Sep 2011 16:30:58 +0530

How do we mention the list of "QM atoms" in the input file?
We use "*qmmask*" variable for specifying the *residues* and "*iqmatoms*"
for specifying the atoms.
What is the format to write the "*iqmatoms*" in the input file.


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Received on Mon Sep 12 2011 - 04:30:02 PDT
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