[gmx-users] Invalid angle type 0

Zuzana Benkova Zuzana.Benkova at savba.sk
Thu Jun 29 14:59:05 CEST 2017


Dear GROMACS users,

I have prepared a topology file for a carbon nanotube according to the GROMACS tutorial. I have also checked the generation of bonds, angles and dihedrals and visualized the gro file before. Everything looks correctly. However, when I wanted to prepare the tpr file for the energy minimization using the following command line

grompp  -f em.mdp -c CNT_pbc.gro -p topol.top -o CNT_pbc_6_6em.gro

I got an error message 

Fatal error:
Invalid angle type 0
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

The angle type I am using is funct 2. There is neither atom type 0 nor angle type 0. It does not matter whether I am compiling with version 4 or 5. I have not found answer for this query which wold solved my problem in the mailing list. I would appreciate any help.

Greetings

Zuzana


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