SYNOPSISeneconv -f ener.edr -o fixed.edr -[no]h -[no]version -nice int -b real -e real -dt real -offset real -[no]settime -[no]sort -[no]rmdh -scalefac real -[no]error
DESCRIPTIONWith multiple files specified for the -f option:
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 one file specified for -f:
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.
FILES-f ener.edr Input, Mult.
Print help info and quit
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
Change starting time interactively
Sort energy files (not frames)
Remove free energy block data
-scalefac real 1
Multiply energy component by this factor
Stop on errors in the file
KNOWN PROBLEMS- When combining trajectories the sigma and E2 (necessary for statistics) are not updated correctly. Only the actual energy is correct. One thus has to compute statistics in another way.