Dear gromacs users,
I want to use TraPPE-EH force field parameters in GROMACS-2018.3. I
have understood that in top file nbfunc=1,
comb-rule=2,fudgeLJ=0.5,fudgeQQ=0.8333. But what will be the values of
gen-pairs, nrexcl and [ pairs] section ? Any kind of help will be highly
appreciated.
Thanks and regards
Dhrubajyoti Maji