[gmx-users] Re: electron desnity

[Dr. Vitaly Chaban]

> 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.


I am not 100% sure, but it probably reads atom names and tries to
guess the element based on the first two symbols.


Vitaly Chaban