Simpatico
v1.10
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This analyzer writes an MD trajectory to file, using the default DdMd binary file format.
The parameter file format is:
with parameters
interval | number of steps between snapshots |
outputFileName | name of output file |
Configurations are periodically output to file, with multiple configurations in a single large file. The trajectory file is written in a simple binary format using the native representation of C data types. This format can be read by mcSim and mdSim programs using McMd::DdMdTrajectoryReader class and by mdPp postprocessor using the Tools::DdMdTrajectoryReader class. This binary format is not, however, guaranteed to be portable between different types of computer.