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output energy data in SOMD #305

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ElsaDsml opened this issue Jan 20, 2020 · 0 comments
Open

output energy data in SOMD #305

ElsaDsml opened this issue Jan 20, 2020 · 0 comments

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@ElsaDsml
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Hi, I am running an MD simulation of a protein-ligand complex using SOMD. But I a am unable to control the information the simulation outputs, and therefore I cannot perform basic sanity checks (eg evolution of internal energy as a function of time...).
Is there a way to print such informations in SOMD?
thanks
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@ElsaDsml