[gmx-users] Electron Density3

[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?

Would you please elaborate on the details?


thanks in advance very much,
Afsaneh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100107/a5a80e93/attachment.html>