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src/b/i/biskit-2.4/scripts/Biskit/amber_ensembleMD.py   biskit(Download)
        solute_res = m.atom2resMask( logical_not( m.maskSolvent() )  )
        self.lenres = self.lenres or sum( solute_res )
        self.lenatoms = len( m ) - sum( m.maskH2O() )
 
        if dry_out:
            m.remove( m.maskH2O() )