[gmx-users] No default Ryckaert-Bell. types

Dan Gil dan.gil9973 at gmail.com
Mon Aug 13 22:39:49 CEST 2018


This is telling you that the OPLS-AA force field does not have the dihedral
force-field parameters for your molecule (topol_Other_chain_C.itp) of the
Ryckaert-Bell type. Your exact problem might be:
(1) There is something wrong with the molecule topology.
(2) OPLS-AA really doesn't have the dihedral force-field parameters, and
you need to use another force-field.

If your molecule is a simple hydrocarbon, it is unlikely that OPLS-AA has
missing parameters.


On Sat, Aug 11, 2018 at 10:52 AM, Baolin Huang <hblin at gzhu.edu.cn> wrote:

> Dear All,
>   I experienced an error as follows: (I used the OPLS-AA force field)
>   ERROR 48600 [file topol_Other_chain_C.itp, line 144934]:
>   No default Ryckaert-Bell. types
> Anyone can help?
> Kind regards,
> ------------------
> Dr. Baolin Huang
> Lecturer, School of Life Sciences, Guangzhou University
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