VMD-L Mailing List

From: RAHUL SURESH (drrahulsuresh_at_gmail.com)
Date: Sun Oct 01 2017 - 02:22:19 CDT

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*