Write frames to a trajectory file within a list of Actions.

outtraj <filename> [ trajout args ][maxmin <dataset> min <min> max <max>]

<filename> Output trajectory file name.
[trajout args] Output trajectory arguments (see the trajout command).
[maxmin <dataset> min <min> max <max>] Only write frames to <filename> if values in <dataset> for those frames are between <min> and <max>. Can be specified for one or more data sets.

The outtraj command is similar in function to trajout, and takes all of the same arguments. However, instead of writing a trajectory frame after all actions are complete outtraj writes the trajectory frame at its position in the Action queue. For example, given the input:

trajin mdcrd.crd
trajout output.crd
outtraj BeforeRmsd.crd
rms R1 first :1-20@CA out rmsd.dat
outtraj AfterRmsd.crd

three trajectories will be written: output.crd, BeforeRmsd.crd, and AfterRmsd.crd. The output.crd and After-Rmsd.crd trajectories will be identical, but the BeforeRmsd.crd trajectory will contain the coordinates of mdcrd.crd before they are RMS-fit.

The maxmin keyword can be used to restrict output using one more more data sets. For example, to only write frames for which the RMSD value is between 0.7 and 0.8:

trajin tz2.truncoct.nc
rms R1 first :2-11
outtraj maxmin.crd maxmin R1 min 0.7 max 0.8