dps gsd2xtc

Convert a GSD trajectory to XTC format.

Synopsis and options

usage: dps gsd2xtc [-h] -f FILE -o FILE [-ts TIME_STEP] [-box X Y Z]

Convert a GSD trajectory to XTC format.

Input:
  -f FILE, --input FILE
                        Input trajectory file (.gsd). (required)

Output:
  -o FILE, --output FILE
                        Output trajectory file (.xtc); the extension is added if omitted.
                        (required)

Parameters:
  -h, --help            Show this help message and exit.
  -ts TIME_STEP, --time-step TIME_STEP
                        Time between consecutive GSD frames, in ns. (default: 0.1)
  -box X Y Z, --box X Y Z
                        Box lengths in nm; required when the GSD file has no periodic box.
                        (default: None)

Examples:
  dps gsd2xtc -f run.gsd -o run.xtc

Note

This page is generated from the DROPPS 1.0 argument parser. Run dps gsd2xtc -h in the installed environment for the same reference at the command line.