Author Topic: aoforce with cosmo solvatation model?  (Read 4435 times)

inozerox

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aoforce with cosmo solvatation model?
« on: November 23, 2014, 05:31:48 AM »
Hi everyone!!

I am trying to use the aoforce module for calculate the vibrational spectrum of the differents molecules. For the molecules in Gas phase the module runs smoothly, However when running the module with COSMO solvatation models the aoforce module can't run.

Does anyone know how to make vibrational spectra using the COSMO solvation models?

Thanks in advance

Regards

antti_karttunen

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Re: aoforce with cosmo solvatation model?
« Reply #1 on: November 23, 2014, 05:33:52 PM »
Hi,

You can use the NumForce script instead.

Best wishes,
Antti

inozerox

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Re: aoforce with cosmo solvatation model?
« Reply #2 on: December 27, 2014, 07:50:37 AM »
Thanks antti

Best Wishes