[gmx-users] puzzling about ffnonbonded.itp

Wu Chaofu xiaowu759 at gmail.com
Mon Sep 3 10:02:45 CEST 2012

Dear gmxers,
While I try to make one customed force field by studying some existing
force fields, I find that bond_type and at.num defining [atomtypes ]
in the ffnonbonded.itp are included in some force fields (i.e.
oplsaa), but not in other force fields (i.e gmx). I wonder how gmx
identifies the difference and choose the correct parameters from them.
Could you please expain this in details? Thank you very much for any
Yours sincerely,
Chaofu Wu

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