Dear Ravi,
You need to create a new FF atom type and a new frcmod file manually.
regards, Francois
> I have a molecule which is having a oxygen connected with three atoms.
> Since there is no bond type defined for such a system in antechamber,
> running antechamber giving following error.-
>
> For atom[1]:O1, the best APS is not zero, exit
>
> Error: cannot run "/usr/local/amber9/exe/bondtype -i
> ANTECHAMBER_BOND_TYPE.AC0 -o ANTECHAMBER_BOND_TYPE.AC -f ac -j full" in
> judgebondtype() of antechamber.c properly, exit
>
> Can anybody help me in this regards, like how to modify the antechamber
> files or anything else.
> Any help will be highly appreciated.
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Received on Tue Nov 27 2012 - 22:30:03 PST
