On Thu, Sep 03, 2009, Matthew Walsh wrote:
>
> The bonds in question are S1-O2 and S1-O3
>
> 35 21 20 1
> 36 22 20 1
>
> AmberTools 1.0 was compiled with g95 on Red Hat EL5
I get "2" for those bond orders. This sounds like it is related to bugfix.11.
See if that makes a difference.
...dac
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Received on Thu Sep 03 2009 - 10:00:05 PDT
