afsaneh maleki wrote:
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?
remove = sign
Best wishes,
Afsaneh Maleki
--
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
[email protected] [email protected] http://folding.bmc.uu.se
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