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From: RAHUL SURESH (drrahulsuresh_at_gmail.com)
Date: Sun Oct 01 2017 - 02:22:19 CDT
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Dear all
I am at the final stage of parameterization of the molecule. ie Dihedral
optimization.
I loaded the psf, pdb and par files. then every log file. On run
optimization command, fftk stops at parsing QM log file 8 of 8 and its been
repeated so many times and the fault prevails..Files can be attached to
check for reproducibility if required.
Any guidance will be of great help. Thanks in advance
-- *Regards,* *Rahul Suresh* *Research Scholar* *Bharathiar University* *Coimbatore*
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