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 - 06:30:03 PST
