Good morning: I am trying to run a test QM/MM simulation using
Gaussian03 as external software. The simulation does not finishes
because the file fort.7 is not being created. Searching in the amber
archive I found the following related thread:
http://archive.ambermd.org/201205/0437.html
in which the same problem was reported. The reported solution was to use
Gaussian09 instead of Gaussian03.
My question is: has anyone succeded in running QM/MM simulations using
Gaussian03?. In that case, how may the problem related to fort.7 file
be fixed?
Thank you very much in advance for the help,
kind regards
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 Wed Jul 24 2013 - 08:30:03 PDT
