[gmx-users] How 2 remove these warnings

Yang Ye leafyoung81-group at yahoo.com
Tue Mar 14 14:27:51 CET 2006


Check the line as specified in the warning. And translate the atom 
number to its atom type. Check such combination in the [dihedral] 
section in the ffXXXXX-nb.itp  whether there is such combination. I 
suspect that there is some mis-naming by pdb2gmx. Check the total charge 
of the molecule as well, it shall be a integer.

Yang Ye

Richa taimni wrote:
> Hi,
> I am getting these two warnings while doing the
> pdb2gmx steps.Please give some suggestions on this
> problem.
>
>
>
> WARNING 1 [file "AFA.top", line 350]:
>   No default Ryckaert-Bell. types, using zeroes
> WARNING 2 [file "AFA.top", line 455]:
>   No default Ryckaert-Bell. types, using zeroes
> Excluding 3 bonded neighbours for Protein 1
> Excluding 2 bonded neighbours for SOL 1480
> processing coordinates...
> double-checking input for internal consistency....
>
> Regards,
> Richa
>
>
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