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Basic principles of the
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MagiC: Software package for
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XTC trajectory file format
Contents
Using MagiC
Subsections
Basic principles of the coarse-graining procedure
CGTRAJ
: Bead Mapping
Input/output files:
cgtraj.inp: main input file
Example: cgtraj.inp
xmol2xtc Conversion Tool
rdf.py
: Reference Distribution Functions calculation
rdf.inp: main input file
Example: rdf.inp
MagiC Core
: Inverse Solver IMC/IBI
General description
Input/Output files
magic.inp: main input file
Example: magic.inp
Conditional compilation: Increase the performance
MagicTools
: Juggle with MagiC's data
MagicTools data structures introduction
Distribution functions and potentials:
Topology-related structures
Reading the data
Plotting and Inspecting the data
Numerical analysis and processing of the potentials
Exporting topologies and potentials
File conversion utilities
