[gmx-users] electron desnity

[George Patargias]

Hello

In the g_density manual it is mentioned that

"When calculating electron densities, atomnames are used instead of types,
this is bad"

So what should be included in the electrons.dat file. The unique atomtypes
of the group or all the atomnames of this group?

Thanks in advance.



Dr. George Patargias
Postdoctoral Researcher
Biomedical Research Foundation
Academy of Athens
4, Soranou Ephessiou
115 27
Athens
Greece

Office: +302106597568