Hi Yew Mun,
If you insist on using restrained ESP fit, you may use this code
https://github.com/samuelymei/HME
Best regards,
Ye
On 2015-07-16 23:01, Yip Yew Mun wrote:
> Hi,
>
> I wish to ask if it’s possible to do RESP charge fitting based on
> atomic multipoles. If there are papers that suggest the combination of
> RESP charge fitting with atomic multipoles, please let me know. :)
>
> Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry &
> Biological Chemistry
> School of Physical & Mathematical Sciences | Nanyang Technological
> University | Singapore 639798
> Tel: (+65) 97967803 | Email: yipy0010.e.ntu.edu.sg | GMT+8h
>
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Received on Thu Jul 16 2015 - 08:30:03 PDT
