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Input files and parameters / Gibbs Ensemble MC
« on: April 17, 2020, 09:57:43 AM »
Hello Dr. Dubbeldam,
I am doing NpT Gibbs Ensemble Simulations. Often the Simulations crash because of small boxes. I had the idea to restart the Simulation at that point (Crashrestart) but with additional molecules. Is this possible?
If yes what are the options for:
RestartFile
ContinueAfterCrash
CreateMolecules
Did I forget something else? Thanks in advance for your help!
Best Christopher Keßler
I am doing NpT Gibbs Ensemble Simulations. Often the Simulations crash because of small boxes. I had the idea to restart the Simulation at that point (Crashrestart) but with additional molecules. Is this possible?
If yes what are the options for:
RestartFile
ContinueAfterCrash
CreateMolecules
Did I forget something else? Thanks in advance for your help!
Best Christopher Keßler