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TopoGromacs: Automated Topology Conversion from CHARMM to GROMACS within VMD.
Josh Vincent Vermaas
David J. Hardy
John E. Stone
Emad Tajkhorshid
Axel Kohlmeyer
Published in:
J. Chem. Inf. Model. (2016)
Keyphrases
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semi automated
fully automated
real time
delaunay triangulation
genetic algorithm
small world
expert systems
semi automatic
computer aided
automated classification
context sensitive
computer assisted
multiresolution
digital libraries
object recognition
information systems
databases
data sets