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[OLD] EQ3/6-GWB database


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From: Paul Foellbach

Subject: EQ3/6-GWB database

I would like to use a 200 bar file of EQ3/6 with GWB. How can I convert an EQ 3/6 database to the format of a GWB database ?

 

From: Robert C Lee

Subject: Re: EQ3/6-GWB database

Paul, converting the EQ3/6 database requires:

1) re-writing the reactions to the basis set of GWB.

2) reformatting the info to the GWB thermo-file format.

This functionality is something we are working on for T-Rex (the Geochem Thermo Archive) - but it's all still in alpha stage while we nail down the specifics of the XML definition for thermo data.

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