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Published 20 hours ago • verified publisher icon choderalab

Write initial initial and final structures in subdir

Open ijpulidos opened this issue 1 year ago • 0 comments

We want to write the PDBs for the initial and final states of the simulation in the subdirectory where the openmm systems live (XML subdir).

ijpulidos avatar Jun 13 '23 15:06 ijpulidos