[gmx-users] gen-pairs, nrexcl and [ pairs ] in itp files

[Bogdan Costescu]

On Mon, May 12, 2014 at 12:49 PM, Hardy, Adam <ah259 at hw.ac.uk> wrote:
> If gen-pairs is set to yes, does it overwrite parameters given in the itp file? This way I would not have to go through and explicitly list the "normal" 1-4 interaction parameters in the itp file.

I have tried to explain how the exclusion mechanism works here:

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2012-December/077005.html

Best is to build a toy system on which you can look up all
interactions with gmxdump.

Cheers,
Bogdan