Re: [AMBER] antechamber use for two unit ligand

From: Hector A. Baldoni <hbaldoni.unsl.edu.ar>
Date: Fri, 05 Nov 2021 19:09:34 -0300

Hi Rehan,

You would follow stage 2 in tutorial A1
http://ambermd.org/tutorials/advanced/tutorial1_adv/ to build your
ligand.

Greeting,
Hector.


El 2021-11-05 17:30, Rana Rehan Khalid escribió:
> Dear Amber Users
>
> Could you please guide me, how we can parameterize ligand that consists
> of
> two unit (FAD,4CR). I can parametrize the single unit but can we use
> antechamber for two unit ligand. input file attached.
>
> Or do we need to use g09 to generate prep file. thank you so much for
> your
> time.
>
>
> Best Regards
> Rehan
>
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-- 
--------------------------------------
  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
--------------------------------------
First things first, but not necessarily in that order.
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Received on Fri Nov 05 2021 - 15:30:03 PDT
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