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tpr2mmol(tprfile)

Convert GROMACS binary run input file *.tpr to a set of [MMOL]*.mmol files. Useful for preparing input data for the bead mapping with [cgtraj]CGTraj or for the [rdf]RDFs calculation.
Example: MagicTools.tpr2mmol('mdrun.tpr')



Alexander Lyubartsev 2016-05-03