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27G-oxalic+rutile (metadynamics (1 ox-2 + +0.20 nonhydrox (Running with…

- - - - 1 ox-1 + +0.20 nonhydrox COO
        
        running
        
        New box, just Cl- to compensate charge;
        SOL 2027
        OX1 1
        CL_75 35
        
        Running with new set-up, i.e. D_0=0.15 R_0=0.10
        O3+O4 in CV COORD
      - 1 ox-1 + +0.20 nonhydrox COOH
        
        running
        
        New box, just Cl- to compensate charge;
        SOL 2027
        OX1 1
        CL_75 35
        
        Running with new set-up, i.e. D_0=0.15 R_0=0.10
        O1+O2 in CV COORD