[gmx-users] gnuplot

manoj gadhwal manojgadhwal at gmail.com
Fri Jul 8 10:35:49 CEST 2011


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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-- 
Manoj Kumar Gadhwal (M. Pharma),
Research Schloar,
Prin. K. M. Kundnani College of Pharmacy,
Colaba, Mumbai-05.
Cont. No. +91 9769051866
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