[gmx-users] Electron Density

[afsaneh maleki]

Hi,

I want to obtain electron density for solvent in z direction for bilayer.

I used following options:



] g_density -f md.xtc -s md.tpr  -d z  -dens electron  -o electrondens.xvg  -ei
electrons.dat  -symm -n index.ndx

Atomtapes in md.gro are OH,HW1,HW2

And “electrons.dat”  file contains:

3

  OW= 8

 HW1=1

 HW2=1



But I get error:

Fatal error:

Invalid line in datafile at line 1



What is my error?


Best wishes,
 Afsaneh Maleki
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