[gmx-users] error in grompp

[Alex]

I'm not Justin, but the information grompp reports here is actually
exhaustive.

Start from the top and go to line 185 of your topol.top,
where you'll see the exact pair, which will allow you to track the
atom types sharing a bond (just look up each atom in your topology by
its number). It is then likely that your ffbonded.itp is
missing an entry for the particular atom types, which you can add.
Same for angles.

Alex


AD> Dear Justin

AD> I am running a simulation of polymer.
AD> I am getting these errors while running grompp.

AD> ERROR 1 [file topol.top, line 185]:
AD>   No default Bond types


AD> ERROR 2 [file topol.top, line 363]:
AD>   No default Angle types


AD> ERROR 3 [file topol.top, line 437]:
AD>   No default Ryckaert-Bell. types


AD> ERROR 4 [file topol.top, line 440]:
AD>   No default Ryckaert-Bell. types


AD> ERROR 5 [file topol.top, line 441]:
AD>   No default Ryckaert-Bell. types


AD> ERROR 6 [file topol.top, line 442]:
AD>   No default Ryckaert-Bell. types


AD> ERROR 7 [file topol.top, line 443]:
AD>   No default Ryckaert-Bell. types









AD> *BestAnurag DobhalJuniour Research fellowSupervisor: Dr. Ratnesh D.
AD> JainDepartment of chemical engineeringInsttute of Chemical
AD> Technology400019, +91 8898486877*