Dear Justin:
Thank you for reply. g_x2top worked correct as you suggested when I added
"-nopbc" option.
I have other questions about graphite simulation. The top/rtp file(opls-aa)
generated by g_x2top missed improper dihedral term ,
to keep a carbon in plane, whether it is better to add the missing terms in
topology file or need other corrections ?
Thank you in advance!
sincerely zhhxu
PhD student
Department of Biochemical Engineering
Institute of Process Engineering
Chinese Academy of Sciences
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