Unfortunately, there’s no option for it. Do you have access to the code? If so, you could alter the definition of “skroot” in “qm2_dftb_load_params.F90”. Otherwise, you can ask the sysadmin to create the $AMBERHOME/dat/slko/ as a symlink to your directory.
—
Gustavo Seabra.
> Em 9 de fev de 2017, à(s) 12:41, Alfredo Quevedo <alfredoq.fcq.unc.edu.ar> escreveu:
>
> Good morning,
>
> I am trying to perform DFTB calculations using sander. I have already
> obtained the corresponding parameters files from www.dftb.org. I would
> like to put them in a directory other than $AMBERHOME/dat/slko/ (because
> of directory permission issues). Is there any way of indicating Amber to
> search for these files in a custom directory during calculations?
>
> thanks in advance for the help
>
> Alfredo
>
>
> --
> *********************************************************
> Prof. Dr. Mario Alfredo Quevedo.-
> Laboratorio de Química Medicinal.-
> Dpto. de Farmacia - Fac. de Ciencias Químicas.-
> Universidad Nacional Córdoba.-
> 5000 Córdoba, Argentina
> TE: +54 351 5353865 Int: 53355
>
>
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Received on Thu Feb 09 2017 - 11:00:03 PST
