Dear dac,
> Andy: is there any good reason to go through an interface here, which just
> seems to obfuscate what is going on anyway? That is, is there any reason why
> qm2_energy.f and qm2_get_qm_forces.f should not call hofCorrection() and
> hofCorrectionGradient() directly, rather than trying to pretend like this is
> C++ when it isn't?
>
> We don't really support AIX anymore (lack of machines in developers' hands)
> but if simple things can be done to make it work, we are willing to try.
> See if the attached patch (apply it in amber11/AmberTools/src/sqm) helps.
> (But it may be a losing cause if this only leads to the next problem....)
>
thank you for the reply and patch. I understand you don't really support
AIX,
anyway, if you don't mind, I'll keep update my installation progress on
the AMBER
ML for future reference.
Regards,
Mirko
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Received on Mon May 31 2010 - 07:00:08 PDT
