[gmx-users] required topology stuff modification for GBSA

[Makoto Yoneya]

Dear Mark:

Thank you for your comment.

> You don't say what your force field is, but those symptoms are 
> suggestive of a problem with CHARMM force field lacking Urey-Bradley 
> interaction parameters for atoms 1-2-3. If so, this is not a GB problem 
> per se.
>
> Mark

Sorry for the lack of info.
The force field was general AMBER and the topology file was basically
generated using the utility ACPYPE.

And as I wrote,
> I'd convinced the normal run with vacuo with simply high epsilon_r
> setting.
The corresponding runs with "implicit_solvent = NO" result in no
errors.
Then I believe the error
> "Fatal error:
> Cannot find length for atoms 1-3 involved in angle".
occurs with some side-effects from the implicit solvent setting.
Also I found the same error reports on the gmx-user archive (although
no info. For solve it).
It suggest the error would be a general one.
Thanks anyway.

Regards.