1eneconv(1)                GROMACS suite, VERSION 4.5                eneconv(1)
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NAME

6       eneconv - converts energy files
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8       VERSION 4.5
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SYNOPSIS

11       eneconv  -f ener.edr -o fixed.edr -[no]h -[no]version -nice int -b real
12       -e real -dt real -offset real  -[no]settime  -[no]sort  -scalefac  real
13       -[no]error
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DESCRIPTION

16       With  multiple files specified for the  -f option:
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18       Concatenates  several  energy files in sorted order.  In case of double
19       time frames the one in the later file is used. By specifying   -settime
20       you  will be asked for the start time of each file. The input files are
21       taken from  the  command  line,  such  that  the  command   eneconv  -o
22       fixed.edr *.edr should do the trick.
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25       With  one file specified for  -f:
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27       Reads  one energy file and writes another, applying the  -dt,  -offset,
28       -t0 and  -settime options and converting to a different format if  nec‐
29       essary (indicated by file extentions).
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32         -settime is applied first, then  -dt/ -offset followed by  -b and  -e
33       to select which frames to write.
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FILES

36       -f ener.edr Input, Mult.
37        Energy file
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39       -o fixed.edr Output
40        Energy file
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OTHER OPTIONS

44       -[no]hno
45        Print help info and quit
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47       -[no]versionno
48        Print version info and quit
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50       -nice int 19
51        Set the nicelevel
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53       -b real -1
54        First time to use
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56       -e real -1
57        Last time to use
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59       -dt real 0
60        Only write out frame when t MOD dt = offset
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62       -offset real 0
63        Time offset for -dt option
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65       -[no]settimeno
66        Change starting time interactively
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68       -[no]sortyes
69        Sort energy files (not frames)
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71       -scalefac real 1
72        Multiply energy component by this factor
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74       -[no]erroryes
75        Stop on errors in the file
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KNOWN PROBLEMS

79       - When combining trajectories the sigma and E2 (necessary  for  statis‐
80       tics) are not updated correctly. Only the actual energy is correct. One
81       thus has to compute statistics in another way.
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SEE ALSO

85       gromacs(7)
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87       More  information  about  GROMACS  is  available  at   <http://www.gro‐
88       macs.org/>.
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92                                Thu 26 Aug 2010                     eneconv(1)
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