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DRF90


MD simulations using
polarizable force field [web]

MSC


My Smart Converter [web]

pdb2adf


transform PDB file to ADF inputfile [web]

Polar


calculate polarizabilities
from empirical model [web]

QUILD


QM/QM, adapted delocalized coords [web]

RanGenConf (rgc)


randomly generating solvent configurations [web]

Unix and chemistry scripts

ADFsummary:
progress of optimizations with ADF

EDA:
show energy components in the Energy Decomposition Analysis within ADF

MGGA:
comparison between two files for the DFT energies computed post-SCF with ADF

NMRsummary:
summary of NMR shielding (tensors)

QUILDsummary:
progress of optimizations with QUILD

Solvents

get info about box sizes for a given solvent [web]