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Problem with "flow-through"


Tom Meuzelaar
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[admin notice: the below is from the former GWB users group email distribution list. This message was originally posted 7/1/2006]

 

Posted by: Melora Park

 

Hello,

 

I'm not sure how I stop the reaction path just before it can't converge ... Can you direct me toward the appropriate command or method? If I react less ethanol, it will still run to completion I believe .... Thanks for your help on this matter.

 

Melora

 

 

Posted by: Craig Bethke

 

Hi Melora,

 

If you are running a titration path, you can use the "reactants times" command. For example, if your path failed half way through, you could enter the command "reactants times .499".

 

If you are running a kinetic path, on the other hand, you can cut the time span of the run, using the "time" command.

 

Hope this helps,

Craig

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