[gmx-users] BOND DISSOCIATION ENERGY STUDY USING GROMACS

Neha Gupta nehaphysics17 at gmail.com
Sat Apr 8 08:49:05 CEST 2017

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Hi gromacs users,

I want to calculate bond dissociation energy of a particular bond in my
organic compound.

How to proceed further?

Can anyone let me know?

Thanks,
Neha

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