Computational Codes

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• ADF

• GAUSSIAN

• DL POLY

• GROMACS

• NWCHEM

• JAGUAR

• Maestro

• MACROMODEL

• VASP

• DACAPO

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To be updated

Erik is in charge of updating the ADF section

Ata is in charge of updating the NWChem &X Chem edit sections

Eva is in charge of updating Gromacs & Macromodel

Pere is in charge of updating the DLPoly, ADFView & VMD sections

Christophe is in charge of updating the Jaguar section

Alfons is in charge of updating the Macromodel, Maestro & Gausview sections

Mónica is in charge of updating the Crysden section

Jaime is in charge of updating the P4H section

Steven is in charge of updating the Ecce section

Gemma is in charge of updating the Molden section