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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- chemical/x-pdb attachment: wt.pdb
Received on Mon Sep 12 2011 - 04:30:02 PDT
