[gmx-users] help with g_density

[Sheeja Vasudevan]

hi
I am trying to use the g_density program to calculate the electron density
profile. when i use -ed option i get a message

Fatal error: Invalid line in datafile at line 1

my electrons.dat file looks like following:

1
O5=8

HOwever if i skip the -ed option and just use -ei while running g_denisty
i don't get any error. But i am not sure whether the output is electron/number/mass
density. is there some way to check the output?

thanx
Sheeja.


Sheeja Vasudevan
Research Associate
BCPS, 3101 S Dearbon St
Illinois Institute of Technology
Chicago, IL 60616.
email: vasudevan at iit.edu
Tel: 312-567-8921 (work), 312-567-0227 (home), 618-203-6424 (cell)
Fax: 312-567-3494