[gmx-users] grompp error about no default angle

[K.A. Feenstra]

nanyu101 wrote:
> Hi,
>   I have run energy minimize of a polyester with grompp,the system told me below:
> WARNING 1 [file "wxh.top", line 3483]:
>   No default Angle types, using zeroes
[...]
> Cleaning up temporary file gromppvCqTTv
> Fatal error: Too many warnings, grompp terminated
> 
> 
> Would someone give me some advices?Thanks.

You have defined angles without parameters in your .top file, and
grompp cannot find 'default' parameters for that angle based on
the combination of the three atom types. These are usually defined
in the ff*bon.itp files.


-- 
Groetjes,

Anton
  ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "If You See Me Getting High, Knock Me Down"               |
|        | (Red Hot Chili Peppers)                                   |
|________|___________________________________________________________|