Kindly ignore the attachment!!
Regards,
Shruti
On 12 September 2011 16:30, Shruti Koulgi <koulgi.shruti.gmail.com> wrote:
> 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 - 04:30:04 PDT
