[gmx-users] Check the 1-4 interactions, and the non-bonded pairs in the output

Suvardhan Jonnalagadda j.su.vardhan at gmail.com
Thu Dec 5 18:59:21 CET 2019


Hi all,

I have performed NPT simulation in GROMACS 5.4.1. In the 'forcefield.itp'
file I have mentioned 'gen-pairs' as 'yes', and also the 'Fudge-LJ' was
specified. From the output I want to check and confirm the LJ parameters of
1-4, and non-bonded pairs. How do I check it?

Thank you,

Best regards,
Vardhan


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