Hello everyone,
I've for some reason decided do something with Ferrocene in Amber, because
it is fun? Anyway, tleap is kicking me a wonderful error when i try to
assign the ten bonds to the iron center:
> bond x.1.Fe1 x.1.C32
Bond: maximum coordination exceeded on .R<MOL 1>.A<Fe1 54>
-- setting atoms pert=true overrides default limits
And so I responded to tleap:
> set x.1.Fe1 pert true
> bond x.1.Fe1 x.1.C32
Which then I got the rude reply:
Bond: maximum coordination exceeded on .R<MOL 1>.A<Fe1 54>
-- setting atoms pert=true overrides default limits
On the off chance it could be reasoned with, I pleaded:
> set x.1.C32 pert true
> bond x.1.Fe1 x.1.C32
Yet to no avail. Is there a hard-limit on the maximum coordination of an
atom type? or is it possible to change this limit somewhere/someway else?
Thank you kindly,
-David
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Received on Tue Apr 04 2017 - 07:30:02 PDT
