[gmx-users] free energy tutorial 6

murat özçelik mehmet63900 at hotmail.com
Sat Jan 28 17:30:04 CET 2012

hi all! 
ı am doing tutorial 6 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/07_analysis.html 

ı have a problem.. ı am collect all md.xvg files and run g_bar with below command..
g_bar -f md.xvg -o -oi -oh..
the program gave me the following error..

Why does not consist of bar.xvg file

please help me!  thanks...

                               :-)  g_bar  (-:

Option     Filename  Type         Description
  -f         md.xvg  Input, Opt!, Mult. xvgr/xmgr file

  -g       ener.edr  Input, Opt., Mult. Energy file
  -o        bar.xvg  Output, Opt! xvgr/xmgr file
 -oi     barint.xvg  Output, Opt! xvgr/xmgr file
 -oh  histogram.xvg  Output, Opt! xvgr/xmgr file

Option       Type   Value   Description

-[no]h       bool   no      Print help info and quit
-[no]version bool   no      Print version info and quit
-nice        int    0       Set the nicelevel

-[no]w       bool   no      View output .xvg, .xpm, .eps and .pdb files
xvg         enum   xmgrace  xvg plot formatting: xmgrace, xmgr or none
-b           real   0       Begin time for BAR
-e           real   -1      End time for BAR

-temp        real   -1      Temperature (K)
-prec        int    2       The number of digits after the decimal point
-nbmin       int    5       Minimum number of blocks for error estimation
-nbmax       int    5       Maximum number of blocks for error estimation

-nbin        int    100     Number of bins for histogram output

md.xvg: 0.0 - 5000.0; lambda = 1.000
    foreign lambdas: 0.000 (5250021 pts) 0.050 (5250021 pts)

Writing histogram to histogram.xvg

No results to calculate.
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