g_eneconv (1) - Linux Manuals
g_eneconv: converts energy files
NAMEeneconv - converts energy files
SYNOPSISeneconv -f ener.edr -o fixed.edr -[no]h -nice int -b real -e real -dt real -offset real -[no]settime -[no]sort -scalefac real -[no]error
DESCRIPTIONWith multiple files specified for the -f option:
Concatenates several energy files in sorted order. In 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 -o fixed.edr *.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.
-nice int 19
-b real -1
-e real -1
-dt real 0
-offset real 0
-scalefac real 1
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.
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