import ctools.Driver as Driver import pdb Driver.initSystem("Solvated Micelle") Driver.loadTopology("micelle.top") Driver.loadStructure("micelle.gro") Driver.writeStructure("micelle_out.gro") Driver.write_topology("micelle_out.top")
import ctools.Driver as Driver import pdb Driver.initSystem("Solvated Micelle") Driver.loadTopology("complex.top") Driver.loadStructure("complex.gro") Driver.writeStructure("complex_out.gro") Driver.write_topology("complex_out.top")