[gmx-users] Invalid angle type 0

[Justin Lemkul]

On 6/29/17 6:52 AM, Zuzana Benkova wrote:
> 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.
> 

There must be some malformed line in the topology or parent force field file, 
otherwise grompp wouldn't complain.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================