On Mon, Aug 12, 2013, Mallipeddi, Premalatha wrote:
>
> The main issue is, the metals start to move away from each
> other.
This could happen for all sorts of reasons. People on the list have no idea
what geometry you are looking at, what the coordination of the metal atoms is,
and so on. Hence they cannot be of much help.
>
> I tried MG2 this time in desc
> > desc MG2.1
> RESIDUE name: MG2
> RESIDUE sequence number: 1
> RESIDUE PDB sequence number: 0
> Type: undefined
> Connection atoms:
> Improper torsions:
> Contents:
> A<MG 1>
>
> Where am I going wrong?
Nowhere...above looks correct. It shows you that the is one atom (named "MG")
in the first residue of the unit "MG2". Follow this by "desc MG2.1.MG", and
you will find the charge on that atom (which is 2.)
...dac
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Received on Mon Aug 12 2013 - 09:30:02 PDT
