On Tue, Apr 25, 2017, Budhathoki, Dipesh wrote:
> SANDER BOMB in subroutine get_namelist (qm2_extern_gau_module)
> &gau namelist read error
> Please check your input.
>
> &gau
> method=B3LYP
> basis=6-31G**
> &end
Try putting quotes around strings, esp. the basis:
> &gau
> method='B3LYP',
> basis='6-31G**',
> &end
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 25 2017 - 17:30:02 PDT
