[gmx-users] how to add user-specified non-bonded interactions?
idrizseferi89 at gmail.com
Sun Dec 13 18:57:32 CET 2015
I have a question regarding the [ pairs ] section of the gromacs topology.
I want to add additional non-bonded interactions, but from what I
understand the [ pairs ] section is for 1-4 interactions. I read somewhere
that for structure-based modelling it has been extended to include native
contacts. This is what I am interested in.
How can I add additional non-bonded interactions between atoms that are not
necessarily in 1-4 position?
Any suggestion is greatly appreciated.
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