Steered MD
If steering is applied to the system (by the option steeredMD in the input file and the entries in the specfile) an extra output file is generated, by default steerwork.pof. In this file all information of the work done on the system by steering is reported. A typical part of this file might looks like
0 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 1 1.4608 0.0078 1.4608 1.1840 0.0042 1.1840 2 1.7169 0.0167 3.1777 1.5241 0.0091 2.7081
The first column is the iteration number (specified by the Erep option). Then multiple sets of three columns is produced (depending on how many particles are steered, one set per steered particle). In this example two particles are being steered, since six columns are present besides the iteration column.
Of this set the first column gives the work done on the system on that time step. The second column tells how much the harmonic bond is stretched (in nm). As can be seen from the first line, no work is done in the first iteration and the harmonic bond is not stretched. The last column of the set of three gives the cumulative work done on the system.
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