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output energy data in SOMD

Open ElsaDsml opened this issue 5 years ago • 0 comments

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

ElsaDsml avatar Jan 20 '20 16:01 ElsaDsml