Hello Thamires,
The best practice could be to obtain your ligand from the parameters
developed by F. Lankas et al. for deoxy-inosine in:
1)
http://amber.manchester.ac.uk/
2) Nucleic Acid
3) deoxy-inosine (di)
Best regards,
Hector.
El 2021-07-20 18:42, Thamires Rocco Machado escribió:
> Thank you very much for your response.
>
> inosine is standalone as a nucleoside, so I will need to make my own
> parameters. Would you have any clue on how could I do it?
>
> I tried with the antechamber too using gaff2, but it also failed to
> generate the force field.
>
> Any help would be appreciated.
>
> Thank you!
>
> Regards,
> Thamires
>
>
--------------------------------------
Dr. Hector A. Baldoni
Profesor Titular (FQByF-UNSL)
Investigador Adjunto (IMASL-CONICET)
Area de Quimica General e Inorganica
Universidad Nacional de San Luis
Chacabuco 917 (D5700BWS)
San Luis - Argentina
hbaldoni at unsl dot edu dot ar
Tel.:+54-(0)266-4520300 ext. 6157
--------------------------------------
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Received on Tue Jul 20 2021 - 15:30:02 PDT
