Next:
Basic principles of the
Up:
MagiC: Software package for
Previous:
RDF and MagicTools
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
rdf.py
: Reference Distribution Functions calculation
rdf.inp: main input file
Example: rdf.inp
MagiC core
: Inverse Solver IMC/IB
General description
Input/Output files
magic.inp: main input file
Example: magic.inp
MagicTools
: Juggle with MagiC's data
Reading the data
Plotting and Inspecting the data
Numerical analysis of the potentials
Saving the data
Exporting potentials: GROMACS
MagicTools
procedures reference:
ReadRDF
ReadPot
ReadMagiC
LoadDFs
PlotAllDFs
DFset.Plot
Deviation
AnalyzeIMCOuput
TotalPots
GetOptEpsilon
PotsEpsCorrection
PotsPressCorr
SaveDFsAsText
DumpDFs
SplitDFset
GromacsTopology
PotsExport2Gromacs
xmol2gro
gro2xmol
tpr2mmol
Convert2NewFile_pot
Convert2NewFile_rdf
DFset - set of Distribution Functions
DF - Distribution Function
Alexander Lyubartsev 2016-05-03
