[gmx-users] Electron Density

afsaneh maleki maleki.afsaneh at gmail.com
Wed Jan 6 15:01:03 CET 2010


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?

Best wishes,
 Afsaneh Maleki
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