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.TH "GMX-ENECONV" "1" "Oct 28, 2016" "2016.1" "GROMACS"
.SH NAME
gmx-eneconv \- Convert energy files
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.SH SYNOPSIS
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.INDENT 3.5
.sp
.nf
.ft C
gmx eneconv [\fB\-f\fP \fI[<.edr> [...]]\fP] [\fB\-o\fP \fI[<.edr>]\fP] [\fB\-b\fP \fI<real>\fP] [\fB\-e\fP \fI<real>\fP]
            [\fB\-dt\fP \fI<real>\fP] [\fB\-offset\fP \fI<real>\fP] [\fB\-[no]settime\fP] [\fB\-[no]sort\fP]
            [\fB\-[no]rmdh\fP] [\fB\-scalefac\fP \fI<real>\fP] [\fB\-[no]error\fP]
.ft P
.fi
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.SH DESCRIPTION
.sp
With \fImultiple files\fP specified for the \fB\-f\fP option:
.sp
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\fP you will be
asked for the start time of each file. The input files are taken
from the command line,
such that the command \fBgmx eneconv \-f *.edr \-o fixed.edr\fP should do
the trick.
.sp
With \fIone file\fP specified for \fB\-f\fP:
.sp
Reads one energy file and writes another, applying the \fB\-dt\fP,
\fB\-offset\fP, \fB\-t0\fP and \fB\-settime\fP options and
converting to a different format if necessary (indicated by file
extentions).
.sp
\fB\-settime\fP is applied first, then \fB\-dt\fP/\fB\-offset\fP
followed by \fB\-b\fP and \fB\-e\fP to select which frames to write.
.SH OPTIONS
.sp
Options to specify input files:
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.TP
.B \fB\-f\fP [<.edr> [...]] (ener.edr)
Energy file
.UNINDENT
.sp
Options to specify output files:
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.TP
.B \fB\-o\fP [<.edr>] (fixed.edr)
Energy file
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.sp
Other options:
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.TP
.B \fB\-b\fP <real> (\-1)
First time to use
.TP
.B \fB\-e\fP <real> (\-1)
Last time to use
.TP
.B \fB\-dt\fP <real> (0)
Only write out frame when t MOD dt = offset
.TP
.B \fB\-offset\fP <real> (0)
Time offset for \fB\-dt\fP option
.TP
.B \fB\-[no]settime\fP  (no)
Change starting time interactively
.TP
.B \fB\-[no]sort\fP  (yes)
Sort energy files (not frames)
.TP
.B \fB\-[no]rmdh\fP  (no)
Remove free energy block data
.TP
.B \fB\-scalefac\fP <real> (1)
Multiply energy component by this factor
.TP
.B \fB\-[no]error\fP  (yes)
Stop on errors in the file
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.SH KNOWN ISSUES
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.IP \(bu 2
When combining trajectories the sigma and E^2 (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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.SH SEE ALSO
.sp
\fBgmx(1)\fP
.sp
More information about GROMACS is available at <\fI\%http://www.gromacs.org/\fP>.
.SH COPYRIGHT
2016, GROMACS development team
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