[gmx-users] g-C3N4 GROMOS parameters

Morten morten at slyngborg.com
Mon Dec 5 17:13:37 CET 2016


Hi,


anyone got an idea of the best way to parameterize a g-C3N4 structure 
for the GROMOS force field? I am not sure if PRODRG will be useful as it 
is difficult to find properties to parameterize after. Any applicable 
literature is welcome :)


Best regards



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