SEGMENT FILE FOR SPCE WATER


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4:47:52 AM PDT - Mon, Oct 15th 2018
Hi Pubudu,

Spce is your model to describe water. You need to specify the parameter you're gonna use for it in your .nwchem file in your /home directory:

spce /$yourPATH$/solvents/spce.rst

$yourPATH$ being the path to the MM parameters in your NWChem version.

Cheers,
Bb2n18