[gmx-users] sub: topology error...

[Justin Lemkul]

On 7/27/16 6:01 AM, kalai sivam wrote:
> dear gromacs user,
>
>       I have created topology for protein - ligand interaction by using
> OPLS-AA force field....
>
> some of the error happen like this:
>
>
>
>
> **  [file topol.top, line 206]:                                   No
> default Ryckaert-Bell. types**
>
>   for basically what is the meaning of the error ..??

You're assigning a dihedral that isn't covered by the force field.  The line 
number tells you exactly which one.

>   what parameters should i change to overcome this problem.

There are no parameters to change, you have to find (in the literature) or 
derive suitable parameters.

-Justin

>    pls give suggestion to me...
>
>          * thanks advance.....*
>

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

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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