On Mon, Jun 29, 2020, David Case wrote:
>
>I think we have to follow Dan's advice, and construct a
>leaprc.water.opc3 file that does the right thing. But we might want to
>wait to look at the newly optimized ion parameters ....
Ouch...my big mistake, since I should have known this. The new ion
parameters were developed by Zhen Li, Lin Frank Song, Pengfei Li, and
Kennie Merz.
Hoping that these authors will get us updated leaprc.water.xxxx files
soon, especially for OPC.
....dac
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Received on Mon Jun 29 2020 - 19:00:02 PDT
