Trajectory is generated, which might not be the case when using the In the structure file to obtain and each subsequent timeframe isįitted to the previously fitted structure. In which the first timeframe is fitted to the reference structure The first option is just plain fitting to a reference structure There are two options for fitting the trajectory to a referenceĮither for essential dynamics analysis, etc.
To save disk space and to have portable files.
Out the water from a trajectory of a protein in water.ĪLWAYS put the original trajectory on tape! To a new trajectory file in order to save disk space, e.g. It is possible to select part of your trajectory and write it out pdb files with all frames concatenated can be viewed with By default, all frames all written to one file. Option -sep can be used to write every frame to a separate Note that velocities are only supported in Output can be single or double precision, depending on the precision Is always taken from -ndec, when this option is set.Īll other formats have fixed r gro output is taken from theĪnd from the -ndec option for other input formats. The file formats are detected from the file extension. The following formats are supported for input and output:
Gmx trjcat is better suited for concatenating multiple trajectory files. select frames within a certain range of a quantity given.This assumes that the entries in the index file are frame numbers andĭumps each group in the index file to a separate trajectory file. The subtrajectories that could, for example, be the result of a cut the trajectory in small subtrajectories according.change the timestamps of the frames ( -t0 and -timestep).Gmx trjconv can convert trajectory files in many ways: