SEGMENT FILE FOR SPCE WATER

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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
Edited On 1:39:41 AM PDT - Tue, Oct 16th 2018 by Bb2n18


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