Hi Vaibhav,
MCPB.py can do it. Here is a tutorial webpage: http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm <http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy.htm>.
Kind regards,
Pengfei
> On Aug 10, 2016, at 7:49 AM, Vaibhav Dixit <vaibhavadixit.gmail.com> wrote:
>
> Dear All,
> I wish to model Pt complexes similar to cisplatin.
> My aim is to generate AMBER parameters and use them in Autodock based
> docking simulations.
> The following paper shows that such parameters were developed long time
> ago, so are they part of the standard library? If yes will it work nicely
> with a similar molecule like the attached file. Or is it that I have
> develop parameters for this using QM calculations and antechamber?
>
> It appears that some of the new studies also have generated latest
> parameter sets, but I don't know if they are part of the standard library
> and suitable to my purpose.
>
> Your suggestions and tips are highly appericiated.
> thanks in advance.
>
> old paper
> http://pubs.acs.org/doi/abs/10.1021/ic00104a015?journalCode=inocaj
>
> new papers
> http://pubs.acs.org/doi/abs/10.1021/acs.jctc.6b00416
> http://pubs.acs.org/doi/abs/10.1021/ct1002626
>
>
>
>
> --
> With Regards.
>
> Dr. Vaibhav A. Dixit, (M.S. and Ph.D.: NIPER, Postdoc: AstraZeneca, UK and
> IISc, Bangalore)
> Associate Professor,
> Department of Pharmaceutical Chemistry,
> School of Pharmacy & Technology Management,
> SVKM's NMIMS,
> Mukesh Patel Technology Park
> Babulde, Bank of Tapi River,
> Mumbai-Agra Road,
> Shirpur, Dist. Dhule -425405
> India.
> Email: vaibhav.dixit.nmims.edu
> www.nmims.edu
>
> http://pharmacy-shirpur.nmims.edu/faculty-and-research/faculty/dr-vaibhav-dixit/
>
>
> +91-7709129400.
> http://scholar.google.co.in/citations?user=X876BKcAAAAJ&hl=en&oi=sra
>
> Please consider the environment before printing this e-mail
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Received on Wed Aug 10 2016 - 07:00:02 PDT
