On Tue, Jan 25, 2005, praveena moldy wrote:
>
>
> I was trying to create the resp input file for a small system C20 from the
> gaussian file with the help of antechamber.
>
> antechamber -i c20.out -fi gout -o c20.mol2 -fo mol2 -c resp
>
> Some errors like :
>
> The ring number exceeds MAXRING, increase MAXRING and recompile the
> programs, exit.
We would need to see your small input to know more. Note that the system must
be an ordinary, closed-shell organic molecule will all hydrogens present.
(Not sure what your label "C20" means....).
....dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jan 25 2005 - 16:53:00 PST
