Grace Data File Options


For more information on Grace see


[{invert|noinvert}] [{xydy|noxydy}]

invert Normally, data is written out with X-values pertaining to frames (i.e. data over all trajectories is printed in columns). This command flips that behavior so that X-values pertain to data sets.
noinvert Do not flip X-Y axes (default).
xydy Combine consecutive pairs of sets into XYDY sets.
noxydy Do not combine consecutuve pairs of sets into XYDY sets (default).
<label set> If a string dataset is specified, assume it has data point labels.

CPPTRAJ will read set legends from grace files, and data sets are stored as <name>:<idx> where <name>  is the given data set name (the le name if not specified) and <idx> corresponds to the set number the data was read from starting from 0.