On Tue, Nov 27, 2012, Ravi Tripathi wrote:
> I want to generate topology file for ammonium borane. When i am running
> the antechamber command, i am getting following error -
>
> Running: /usr/local/amber9/exe/bondtype -i ANTECHAMBER_BOND_TYPE.AC0 -o
> ANTECHAMBER_BOND_TYPE.AC -f ac -j full
>
> For atom[5]:B, the best APS is not zero, exit
>
> Can anybody please help me in this regard.
> Any suggestions will be highly appreciated.
Antechamber doesn't know about boron compounds. You will have to generate a
force field by another method.
...regards...dac
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Received on Tue Nov 27 2012 - 05:00:03 PST
