Main Table of Contents

Wed 13 Nov 2013


With 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.


-f ener.edr Input, Mult. Energy file
-o fixed.edr Output Energy file

Other options

-[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

Known problems