[gmx-users] grompp error - bondedtypes

Justin A. Lemkul jalemkul at vt.edu
Mon Mar 5 19:12:28 CET 2012

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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