> why xleap refused to create prmtop and inpcrd files for sustiva molecule
Missing angle parameters, see the output in the leap window for the
atoms involved.
Bill
On 6/1/17 9:50 AM, Nikolay N. Kuzmich wrote:
> Dear David,
>
> thank you very much for your explanations.
> Would like to ask you and other Amber users
> why xleap refused to create prmtop and inpcrd files for sustiva molecule
> (there is a screenshot from xleap window enclosed).
> It was not OK with the parameters in the tutorial example either,
> but in my case the discrepancies turned out to be more critical.
> Although the Gaussian-optimized structure looked nice...
>
> Thank you in advance,
> Nick
>
>
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Received on Thu Jun 01 2017 - 10:30:03 PDT
