[gmx-users] gnuplot

[andrea spitaleri]

Hi,
in gnuplot first you must neglect the lines starting with @ # &

gnuplot> set datafile commentschars "#@&"


then you can plot the xvg file

and


On 07/08/2011 10:35 AM, manoj gadhwal wrote:
> Hello to all,
> ������������������ I am using the Gromacs 4.5.3 in Centos-5. When I tried to open the/*.xvg*/ file
> by gnuplot it shown the error. I am attaching the gnuplot error and the data of .xvg file. It show
> that line 9:invalid character. Please help me.
>
> Thanks in advance.
> *
> gnuplot error:*
>
> gnuplot> load "/home/ujj/Ligand/ligand_nvt_potential.xvg"
>
> gnuplot> @��� title "Gromacs Energies"
> �������� ^
> �������� "/home/ujj/Ligand/ligand_nvt_potential.xvg", line 9: invalid character
> *
>
> .xvg file:*
>
> # This file was created Fri Jul� 8 13:48:25 2011
> # by the following command:
> # /usr/local/gromacs/bin/g_energy -f ligand_nvt.edr -o ligand_nvt_potential.xvg
> #
> # g_energy is part of G R O M A C S:
> #
> # Gromacs Runs One Microsecond At Cannonball Speeds
> #
> @��� title "Gromacs Energies"
> @��� xaxis� label "Time (ps)"
> @��� yaxis� label "(kJ/mol)"
> @TYPE xy
> @ view 0.15, 0.15, 0.75, 0.85
> @ legend on
> @ legend box on
> @ legend loctype view
> @ legend 0.78, 0.8
> @ legend length 2
> @ s0 legend "Potential"
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> �� 91.000000� -242482.546875
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> �� 94.200000� -242145.234375
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> �� 96.600000� -242364.687500
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> �� 99.800000� -242698.000000
> � 100.000000� -242706.312500
>
>
>
> --
> Manoj Kumar Gadhwal (M. Pharma),
> Research Schloar,
> Prin. K. M. Kundnani College of Pharmacy,
> Colaba, Mumbai-05.
> Cont. No. +91 9769051866

-- 
-------------------------------------------------------------
Andrea Spitaleri PhD
Dulbecco Telethon Institute c/o Raffaele Scientific Institute
Biomolecular NMR Laboratory Dibit2 Basilica 3A2
Via Olgettina 58
20132 Milano
Italy
Tel: 0039-0226434348
Fax: 0039-0226434153
http://sites.google.com/site/andreaspitaleri/
http://www.linkedin.com/in/andreaspitaleri
-------------------------------------------------------------

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