 |
eneconvMain Table of Contents |
VERSION 4.6.3
Fri 5 Jul 2013
| VERSION 4.6.3 |
With
Concatenates several energy files in sorted order.
In the case of double time frames, the one
in the later file is used. By specifying -settime you will be
asked for the start time of each file. The input files are taken
from the command line,
such that the command eneconv -f *.edr -o fixed.edr should do
the trick.
With
Reads one energy file and writes another, applying the -dt,
-offset, -t0 and -settime options and
converting to a different format if necessary (indicated by file
extentions).
-settime is applied first, then -dt/-offset followed by -b and -e to select which frames to write.
| option | filename | type | description |
|---|---|---|---|
| -f | ener.edr | Input, Mult. | Energy file |
| -o | fixed.edr | Output | Energy file |
| option | type | default | description |
|---|---|---|---|
| -[no]h | bool | no | Print help info and quit |
| -[no]version | bool | no | Print version info and quit |
| -nice | int | 19 | Set the nicelevel |
| -b | real | -1 | First time to use |
| -e | real | -1 | Last time to use |
| -dt | real | 0 | Only write out frame when t MOD dt = offset |
| -offset | real | 0 | Time offset for -dt option |
| -[no]settime | bool | no | Change starting time interactively |
| -[no]sort | bool | yes | Sort energy files (not frames) |
| -[no]rmdh | bool | no | Remove free energy block data |
| -scalefac | real | 1 | Multiply energy component by this factor |
| -[no]error | bool | yes | Stop on errors in the file |