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 Sun Jul 28 2019 - 23:00:01 PDT
