Thanks a lot Matias sir.
My problem has been solved doing this.
Regards
On Mon, Jul 29, 2019 at 11:22 AM Matias Machado <mmachado.pasteur.edu.uy>
wrote:
> just read my previous answer, remove your custom "./atomic_ions.lib" and
> problem solve...
>
> Matias
>
> ----- Mensaje original -----
> De: "shivangi agarwal" <shiviagarwalpharma.gmail.com>
> Para: "AMBER Mailing List" <amber.ambermd.org>
> Enviados: Lunes, 29 de Julio 2019 2:34:03
> Asunto: Re: [AMBER] Error in preparing system using AmberTools19
>
> Further, I found when I am loading parameters in directory containing
> protein-ligand-zn complex and when I am issuing the *list* command, there
> is no Na+ as emphasized by David sir above.
>
> tleap
> source leaprc.protein.ff14SB
> source leaprc.water.tip3p
> source leaprc.gaffap
> list
> This may help you in understanding and solving the problem.
>
>
>
> On Mon, Jul 29, 2019 at 10:50 AM Bill Ross <ross.cgl.ucsf.edu> wrote:
>
> > In leap, '> list' to see what ion models you have loaded.
> >
> > Bill
> >
> > Look at the demos for
> >
> > On 7/28/19 9:51 PM, shivangi agarwal wrote:
> > > *addions complex Na+ 1*
> > > Error: addIons: Argument #2 is type String must be of type: [unit]
> >
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Received on Wed Jul 31 2019 - 01:00:02 PDT
