Hi,
I processed with the constant pH tutorial and instead of using the
MdoutAnalyzer.py to analyse the minimization output file, I tried with
process_mdout.perl. However, there were no errors but no data from the
output file was extracted as well. Therefore, I wish to ask if there's a
way to make the perl script work with the minimization output file?
--
Regards
Yip Yew Mun
Graduate, PhD
Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University
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Received on Tue Jul 16 2013 - 22:00:02 PDT