Thank you Gustavo for your suggestions. I will try them out,
best regards
Alfredo
On 09/02/17 13:37, Gustavo Seabra wrote:
> 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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>
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--
*********************************************************
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 - 11:00:04 PST
