On Wed, Jul 13, 2016 at 10:15 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Thanks Jason for the correction. I missed the point.
> How can I incorporate uncharged Lennard-Jones particles with a cross
> section of σcc= 3.40 Å and a depth of the potential well of εcc=0.36 kJ/mol
> ? Do I need to incorporate parameters for CNT in frcmod or lib files?
>
frcmod. You also need to create a lib file for the CNT residue(s).
HTH,
Jason
--
Jason M. Swails
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Received on Thu Jul 14 2016 - 07:00:02 PDT
