[gmx-users] Parameter file, regarding

RAHUL SURESH drrahulsuresh at gmail.com
Thu Dec 14 20:36:52 CET 2017

Dear all

I am performing a Protein-Ligand interaction in charmm36 ff. As the
molecule is having penalty over 50 I parameterized the molecule using fftk
plugin of VMD and generated the parameter.par file. Now I wonder how can I
get my top, itp and other mandatory files with the calculated
parameters(using fftk) to perform my MD simulation using gromacs 2016

Thanks in advance

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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