[gmx-users] Electron Density3

afsaneh maleki maleki.afsaneh at gmail.com
Thu Jan 7 07:58:41 CET 2010

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:


  OW= 8



But I get error:

Fatal error:

Invalid line in datafile at line 1

What is my error?

Would you please elaborate on the details?

thanks in advance very much,
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