Can I pause the calculations of Spartan and continue running later?

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Magnus Hanson-Heine

For geometry optimization calculations you can end the calculation and then use that geometry as the starting input for a new calculation later. Other than this, I'm not aware of any way to pause spartan calculations. I'm currently using Spartan '10.

Amir Mohammed Alsharabasy

Dr. Magnus

Thanks for your reply.

Yes. I follow the same steps for geometry optimisation using Spartan Student version 6; however, I am performing conformer distribution computations which I can't find how to pause and continue later.