I am simulating a infinite graphene sheet in water. The expected is that the system it is infinite in xy plane. But after the simulation I note that the edges of the box (in particular the graphene) are not replicables, i. e., it do not match with its images. I suspect that I may be wrong in using any option mdp file I got the same result for both full and xyz for option pbd.
What have I to do to my system be infinitely replicated, with all its bonded interaction matching? -- _______________________________________ Eudes Eterno Fileti Centro de Ciência Naturais e Humanas Universidade Federal do ABC Rua Catequese, 242 - 3º Andar 09090-400 Santo André - SP Brasil Tel: +55 11 4437-1600 ramal 408 skype: eefileti http://cromo.ufabc.edu.br/~fileti/
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