The following zip file contains input files for running the following systems: 

- decarboxylated Osteocalcin on HAP (ha_doc/plumed.dat)
- amino acid Gla on HAP (ha_gla/plumed.dat)
- amino acid Glu on HAP (ha_glu/plumed.dat)
- carboxylated Osteocalcin on HAP (ha_oc/plumed.dat)

- decarboxylated Osteocalcin on TiO2 (tio2_doc/plumed.dat)
- amino acid Gla on TiO2 (tio2_gla/plumed.dat)
- amino acid Glu on TiO2 (tio2_glu/plumed.dat)
- carboxylated Osteocalcin on TiO2 (tio2_oc/plumed.dat)