hello
thank for your reply
but why depending on the water model. this Al is part of a MOF
On Thu, Nov 10, 2022 at 6:20 PM David A Case <david.case.rutgers.edu> wrote:
> On Wed, Nov 09, 2022, Nour Alkhatib via AMBER wrote:
> >
> >Where can I find the right LJ parameters of Aluminum Al3+
>
> These depend on what water model you use. Parameters are loaded into tleap
> when you choose a leaprc.water.xxxx command. Look in the leaprc.water file
> you choose to see exactly where the parameters are coming from.
> (Look for frcmod.ions234xx_126_xxxx files.)
>
> ....good luck....dac
>
>
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Received on Thu Nov 10 2022 - 09:30:13 PST
