[gmx-users] grompp error

[faride badalkhani]

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
out?

I have shared all the files via

https://www.dropbox.com/s/dt4qcnksxpsv5ld/ca.zip?dl=0

sincerely,
Farideh