Dear all, As mentioned in the title, does Votca support improper dihedrals in IBI method? I have checked the manual, but found no answer. When I include improper dihedrals into my system, the simulation box always explode, the error message is general for GROMACS: "4 of the 14000 bonded interactions could not be calculated because some atoms involved moved further apart than the multi-body cut-off distance (1.20727 nm) or the two-body cut-off distance (1.5 nm)". But when I ignore the improper dihedrals, everything is OK for the IBI iterations. Thank you very much! Zidan Zhang
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