xtracttra.pl

Usage

usage:   xtracttra.pl tstep:cycle [trajectoryFile]

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Description

This command is used to extract lattice chain conformations from a MONSSTER trajectory file. The trajectory file is either read from standard input or can be specified as the second command line argument.

The first argument is required to select a frame within the trajectory file by the number of the temperature step and the number of the cycle within that step. Both numbers have to be separated by a colon.

Options

-help 

usage information

Examples

xtracttra.pl 5:10 1vii.monsster.trajectory
extracts a MONSSTER chain file at cycle 10 of time step 5 from the given trajectory file

    38
    42   47   42
    45   48   45
    48   48   47
    43   46   48
    46   43   49
    44   45   52
    46   44   54
    48   45   51
    46   48   52

...