[gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

[Justin A. Lemkul]

Morteza Khabiri wrote:
> Dear Justin,
> 
> thanks for your help. The last lines of my grompp are:
> 
> checking input for internal consistency...
> calling /lib/cpp...
> processing topology...
> Generated 332520 of the 332520 non-bonded parameter combinations
> Generating 1-4 interactions: fudge = 0.5
> Generated 332520 of the 332520 1-4 parameter combinations
> Cleaning up temporary file grompp3eQvh0
> -------------------------------------------------------
> Program grompp, VERSION 3.3.1
> Source code file: toppush.c, line: 1180
> 
> Fatal error:
> Incorrect number of parameters - found 4, expected 6 or 12.
> 

The error is probably related to missing dihedral parameters.  Was your initial 
topology constructed by PRODRG?  It looks like it.  If so, the dihedral 
parameters will be for use with a GROMOS-type force field, so simply changing 
type to 3 will not suffice.  Have a look in ffoplsaabon.itp for the correct way 
to define an OPLS-AA dihedral with all the necessary parameters.

-Justin

> 
> Thank you very much in advance for your free help.
> 
> Your sincerely,
> 
> Morteza
> 
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-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
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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