On Sat, Aug 15, 2015 at 12:58 PM, Yeng-Tseng Wang <c00jsw00.gmail.com>
wrote:
> Dear All,
> I have installed the LIO code, but I can't use the code to run a QMMM
> simulation.
> The error message:
> A_TO_BOHRS = 1.889726132873E+00
> AU_TO_KCAL = 6.2750946943E+02
> AU_TO_DEBYE = 2.54174623E+00
> SANDER BOMB in subroutine qm2_extern_get_qm_forces
> Lio is not enabled
> Check your installation or reconfigure with the -lio option.
>
>
> how can I overcome the bug ?
>
​Follow the instructions. Re-run "configure" with the -lio flag and
recompile.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Sat Aug 15 2015 - 10:30:03 PDT
