[gmx-users] OPLS3 forcefield

Neha Gupta nehaphysics17 at gmail.com
Sat Apr 7 15:36:16 CEST 2018


Hi gromacs users,

How to generate OPLS3 force field parameters for an organic molecule?

I want to build an automated topology file using OPLS3 force field. How to
proceed?

Thanks,
Neha


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