[gmx-users] Fatal error: Too many warnings (3) ; WARNING * [file lig.prm, line **] :: How to overcome this error -> simply delete the lines which give warnings?

[Justin Lemkul]

On 3/15/20 6:39 PM, Adarsh V. K. wrote:
> Dear all,
>
> How to overcome this error ?
> How to overcome this error. Simply delete the lines which give warnings?
>
> *gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr -maxwarn 1*
> The above command returns following 'error message' while using with "
> ions.mdp "
>
> This run will generate roughly 13 Mb of data
> There were 3 notes
> There were 3 warnings
> -----------------------------------------------------
>
> Fatal error:
> Too many warnings (3).
>
> WARNING 1 [file lig.prm, line 11]:
>    Overriding U-B parameters.
>
> WARNING 2 [file lig.prm, line 14]:
>    Overriding U-B parameters.
>
> WARNING 3 [file lig.prm, line 17]:
>    Overriding U-B parameters.
> -----------------------------------------------------

You have parameters in your .prm file that are already present in 
ffbonded.itp, which happens due to the CGenFF server version (4.0) being 
behind that of the CHARMM36 port (CGenFF 4.1). Remove the offending 
parameters from the .prm file.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
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Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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