[gmx-users] Non bonded parameters

Anjana Jayasinghe anjusilva90 at yahoo.com
Thu Dec 28 22:38:40 CET 2017

Dear All,
If I change (I want to use non-boned parameters defined in a published article) the single atom Lennard-Jones interactions parameters (C6 and C12 present in [atomtypes] of ffnonbonded.itp) do I need to change C6 and C12 present in [nonbond_params] section ?
Could you please anyone help me?
Thank you.
Sincerely,Anjana Jayasinghe

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