Tom Meuzelaar Posted May 13, 2008 Share Posted May 13, 2008 [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 Quote Link to comment Share on other sites More sharing options...
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