[gmx-users] LJ12-4 and other function forms

Francis Jing francijing at gmail.com
Fri Jan 3 12:13:25 CET 2014

Dear GROMACS users:

The Shinoda-DeVane-Klein model is a fine-tuned coarse-grained force field
that can reproduce a variety of properties. DOI: 10.1039/B808701F
But its function forms (LJ9-6 and LJ12-4) are not supported by GROMACS.
Could anyone provide instructions on how to implement this? Or has it been
scheduled to do so?

Thanks in advance,

Zhifeng (Francis) Jing
Graduate Student in Physical Chemistry
School of Chemistry and Chemical Engineering
Shanghai Jiao Tong University

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