Re: [AMBER] tleap does not recognize inosine

From: Hector A. Baldoni <>
Date: Tue, 20 Jul 2021 19:29:00 -0300

Hello Thamires,

The best practice could be to obtain your ligand from the parameters
developed by F. Lankas et al. for deoxy-inosine in:
2) Nucleic Acid
3) deoxy-inosine (di)

Best regards,

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
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