[AMBER] custom directory for DFTB parameter files

From: Alfredo Quevedo <alfredoq.fcq.unc.edu.ar>
Date: Thu, 9 Feb 2017 10:41:36 -0500

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


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 - 08:00:03 PST
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