On Mon, Jul 02, 2012, David A Case wrote:
>
> There is an (unstated, I think) restriction on how cross-links can be added
> in LEaP: the atoms involved in the resulting molecule(s) must be contiguous
> in the Amber atom sequence. Thus, the following should work:
[aargh...original "OK" example was garbled; correct version is here]
>
> chain1
> metal1
> chain2
> metal2
>
> followed by the formation of a bond between chain1 and metal1, and/or between
> chain2 and metal2.
....dac
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Received on Mon Jul 02 2012 - 13:30:02 PDT
