On Mon, Apr 12, 2021, 马芳芳 wrote:
>For atom: .R<Na+ 3>.A<Na+ 1> Could not find type: Na+
>For atom: .R<Na+ 4>.A<Na+ 1> Could not find type: Na+
Ions are included in the "water" leaprc files, since they depend on the
water model you choose. So, you need to include something like
"source leaprc.water.xxxx", where xxxx represents the water model you wish
to use. See the Reference Manual for some more details.
...dac
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Received on Mon Apr 12 2021 - 06:00:11 PDT
