Thanks Francois.
Can you please suggest me which files i have to modify in antechamber.
It will be a great help.
Ravi
On Wed, Nov 28, 2012 at 11:35 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> 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
