Ok. Thanks a lot sir for your kind help.
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12/05/23,
05:40:12 PM
On Tue, Dec 5, 2023 at 5:38 PM 郭 家藩 <guoyingfan.outlook.com> wrote:
> Hi,
> I think it should be very easy to implement that in cpptraj, please refer
> to this tutorial in AMBER-Hub. Measure the stacking percentage of a
> protein-ligand complex – AMBER-hub (utah.edu)
> <https://amberhub.chpc.utah.edu/stacking-percentage-protein-ligand-complex/>
> And I think GitHub - cbouy/ProLIF: Protein-Ligand Interaction Fingerprints
> <https://github.com/cbouy/ProLIF> is a good alternative.
> ------------------------------
> *发件人:* Kankana Bhattacharjee via AMBER <amber.ambermd.org>
> *发送时间:* 2023年12月5日 19:47
> *收件人:* AMBER Mailing List <amber.ambermd.org>
> *主题:* [AMBER] Fwd: pi-pi interaction of the protein-ligand complex:
>
> Dear AMBER users,
>
> I would like to perform the pi-pi interaction between the ligand and the
> ligand surrounding residues. How can I do that job using amber ?
>
> your suggestions would be highly appreciated.
>
> Thanks & Regards
> Kankana Bhattacharjee
> Ph.D. Scholar
> Department of Chemistry
> Ashoka University
> Sonipat, Haryana
>
> ---------- Forwarded message ---------
> From: Kankana Bhattacharjee <kankana.bhattacharjee_phd21.ashoka.edu.in>
> Date: Tue, Dec 5, 2023 at 1:44 PM
> Subject: pi-pi interaction of the protein-ligand complex:
> To: AMBER Mailing List <amber.ambermd.org>
>
>
> Dear AMBER users,
>
> I would like to perform the pi-pi interaction between the ligand and the
> ligand surrounding residues. How can I do that job using amber ?
>
> your suggestions would be highly appreciated.
>
> Thanks & Regards
> Kankana Bhattacharjee
> Ph.D. Scholar
> Department of Chemistry
> Ashoka University
> Sonipat, Haryana
>
>
>
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> 12/05/23,
> 05:17:34 PM
>
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