.TH eneconv 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c"
.SH NAME
eneconv - converts energy files

.B VERSION 4.5.4-dev-20110404-bc5695c
.SH SYNOPSIS
\f3eneconv\fP
.BI "\-f" " ener.edr "
.BI "\-o" " fixed.edr "
.BI "\-[no]h" ""
.BI "\-[no]version" ""
.BI "\-nice" " int "
.BI "\-b" " real "
.BI "\-e" " real "
.BI "\-dt" " real "
.BI "\-offset" " real "
.BI "\-[no]settime" ""
.BI "\-[no]sort" ""
.BI "\-[no]rmdh" ""
.BI "\-scalefac" " real "
.BI "\-[no]error" ""
.SH DESCRIPTION
\&With \fI multiple files\fR specified for the \fB \-f\fR 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 \fB \-settime\fR you will be
\&asked for the start time of each file. The input files are taken
\&from the command line,
\&such that the command \fB eneconv \-f *.edr \-o fixed.edr\fR should do
\&the trick. 


\&With \fI one file\fR specified for \fB \-f\fR:

\&Reads one energy file and writes another, applying the \fB \-dt\fR,
\&\fB \-offset\fR, \fB \-t0\fR and \fB \-settime\fR options and
\&converting to a different format if necessary (indicated by file
\&extentions).


\&\fB \-settime\fR is applied first, then \fB \-dt\fR/\fB \-offset\fR
\&followed by \fB \-b\fR and \fB \-e\fR to select which frames to write.
.SH FILES
.BI "\-f" " ener.edr" 
.B Input, Mult.
 Energy file 

.BI "\-o" " fixed.edr" 
.B Output
 Energy file 

.SH OTHER OPTIONS
.BI "\-[no]h"  "no    "
 Print help info and quit

.BI "\-[no]version"  "no    "
 Print version info and quit

.BI "\-nice"  " int" " 19" 
 Set the nicelevel

.BI "\-b"  " real" " \-1    " 
 First time to use

.BI "\-e"  " real" " \-1    " 
 Last time to use

.BI "\-dt"  " real" " 0     " 
 Only write out frame when t MOD dt = offset

.BI "\-offset"  " real" " 0     " 
 Time offset for \fB \-dt\fR option

.BI "\-[no]settime"  "no    "
 Change starting time interactively

.BI "\-[no]sort"  "yes   "
 Sort energy files (not frames)

.BI "\-[no]rmdh"  "no    "
 Remove free energy block data

.BI "\-scalefac"  " real" " 1     " 
 Multiply energy component by this factor

.BI "\-[no]error"  "yes   "
 Stop on errors in the file

.SH 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.

.SH SEE ALSO
.BR gromacs(7)

More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.