[gmx-users] Bilayer thickness error
Archana Sonawani-Jagtap
ask.archana at gmail.com
Fri Oct 18 08:54:40 CEST 2013
Hi,
This is my input file for calculating bilayer thickness in absence of peptide:
###### Input file and input file parameters
coord_file md.gro
file_type gro
num_frames 1
num_lipid_types 1
resname1 POPC
atomname1 P8
solvent SOL
ions CL-
###### Define the size and shape of the grid
box_size solvent
grid 20
conserve_ratio yes
###### Define whether there is a protein embedded in the bilayer
protein no
precision 1.3
P_value 5.0
###### Define the desired output files and format
output_prefix output
output_format column
thickness yes
area no
I got 400 lines in one column in output file for average thickness
(calculated without peptide)
When running in Gnuplot I get following error:
splot 'output.frame1.20x20.average_thickness.dat' matrix using (1+$1):(1+$2):3
Warning: empty x range [1:1], adjusting to [0.99:1.01]
Please help me.
--
Archana Sonawani-Jagtap
Senior Research Fellow,
Biomedical Informatics Centre,
NIRRH (ICMR), Parel
Mumbai, India.
9960791339
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