[gmx-users] A question on using g_density for electron densities.

[Hwankyu Lee]

Dear, gmx-users,

I'm trying to analyze electron density of my systems, but I couldn't 
find enough answers in gromacs homepage. Therefore, I have some 
questions.

1) When I used -ed option, I got an error like "Fatal error: Invalid 
line in datafile at line 1".
I made electrons.dat file like below. (let's say that the number of 
atoms are 85)
--------
85
C1=6
C2=6
OW=8
HW1=1
HW2=1
Cl=17
Na=11
and so forth......
--------------
Is there something wrong with this?  If so, could you show me short 
examples like a simple water box (3atomnames, OW, HW1, and HW2) ??

2) I'm wondering if I need to write down all the atomnames and # of 
electrons. I'm using 25 residue protein, therefore do I need to put all 
the atomnames of those  residues into electrons.dat by hand?

Thanks for your help in advance.

best,
Hwankyu.