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MD-Studio / MDStudio

A general framework for microservice based distributed applications
Apache License 2.0
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use the same method to compute solvation or protein ligand md #74 #79

Closed felipeZ closed 6 years ago

felipeZ commented 6 years ago

Run solvent-ligand and protein-ligand simulation using the same method.

felipeZ commented 6 years ago

if the protein_file argument is present it runs a protein-ligand MD otherwise a solvent-ligand MD