[gmx-users] grompp error

faride badalkhani farideh.khamseh at gmail.com
Mon Sep 14 10:30:43 CEST 2015

Dear GROMACS users,

I need to simulate a hyper branched polymer (a polyamidoamine dendrimer). I
used the GROMOS53A6 to perform the simulation. But, I have a problem with
defining the angles and dihedrals that are between two residues (because of
dendrimers hyper branched structure). I can perform pdb2gmx and solvation,
but When I run grompp, I got this error " No default Proper Dih. types",
and ''Duplicate atom index (...) in dihedrals''. How should I figure it

I have shared all the files via



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