Classes to read and write Gromacs GRO coordinate files; see the notes on the GRO format which includes a conversion routine for the box.
Now reads in velocities as well, if available.
GRO Writer that conforms to the Trajectory API.
Note
The precision is hard coded to three decimal places and velocities are not written (yet).
Set up a GROWriter with a precision of 3 decimal places.
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Read dimensions from timestep ts and return appropriate unitcell
format strings for the GRO file (all include newline); precision of 3 decimal places is hard-coded here.
Write selection at current trajectory frame to file.
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The GRO format only allows 5 digits for resid and atom number. If these number become larger than 99,999 then this routine will chop off the leading digits.
Changed in version 0.7.6: resName and atomName are truncated to a maximum of 5 characters