[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



More information about the gromacs.org_gmx-users mailing list