[gmx-users] the relationship between mdp file and the force field

Brett brettliu123 at 163.com
Mon Apr 27 04:32:33 CEST 2015

Dear All,
In the on-line Justin tutorial on lysozyme, the several mdp files are for the specific force field OPLS-AA force field. It specifically mentioned "Settings, particularly nonbonded interaction settings, will be different for other force fields".
Will you please introduce to me how to modify mdp files based on the difference of the force fields? For example, if I use force field 6, what should I modify based on the mdps of the lysozyme tutorial?
I am looking forward to getting your reply.

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