[gmx-users] Lenard Jones interaction between two chains

Simon Kit Sang Chu simoncks1994 at gmail.com
Sat Jun 10 18:37:39 CEST 2017


Hi,

I am working on a protein dimer. Since they are not linked by a bond, after
pdb2gmx two topology files are produced. Each of them contains all atoms in
their individual chains and their respective posre.itp contains information
of position restraint.

However, after looking into the topology files, I only see pair interaction
within the chain itself. May I ask natively - where is the inter-chain
Lenard Jones interaction written?

Thanks,
Simon


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