[gmx-users] grompp error - bondedtypes

[Kukol, Andreas]

"Justin A. Lemkul" <jalemkul at vt.edu> wrote:


Lara Bunte wrote:
> Yes it was included in forcefield.itp
>

Only pdb2gmx uses .rtp files (see the manual).

> Thanks for your help
>
> Know I got the error
>
>
> No default Fourier Dih. types
>
>
> What should I do?
>

You need a corresponding [dihedraltypes] for all dihedrals in the system.  The
error indicates there is a dihedral for which parameters do not exist.

-Justin

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

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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