CDTK.cdtk2xyz module
This module has several functions to transform coordinates and velocities obtained
from Gromacs calculation into suitable input files for CDTK. Use gmx2cdtk -h
to find out how to use this program.
Basic units in GMX, please look at the following web. https://manual.gromacs.org/documentation/2019/reference-manual/definitions.html#table-basicunits
1 Picoseconds = 41341.374575751 Atomic Unit Of Time 1 nm = 18.8973 Bohr 1 nm/ps = 18.8973/41341.374575751 Bohr/A.u = 0.00045710381413114194 1 nm/ps = 4.571038E-04 Bohr/A.u