AMBER Archive (2009)

Subject: Re: [AMBER] Could not find type: MG Parameter file was not saved. though it was loaded

From: FyD (fyd_at_q4md-forcefieldtools.org)
Date: Mon Jul 27 2009 - 00:03:00 CDT

Dear Mannan,

> I have loaded MG.off. Though tleap recognised the MG.off, It gives error.
>  
> source leaprc.ff94
> loadamberparams gaff.dat
> loadoff MG.off
>
> I am getting the following error,
>  
> Loading library: ./MG.off
> Leap added 2417 missing atoms according to residue templates:
>        2 Heavy
>        2415 H / lone pairs
> Checking Unit.
> WARNING: The unperturbed charge of the unit: -1.000000 is not zero.
>  -- ignoring the warning.
>  
> Building topology.
> Building atom parameters.
> For atom: .R<MG 301>.A<MG 1> Could not find type: MG
> Parameter file was not saved.

Check if you have van der Waals parameters for this MG atom in
parm94.dat and/or your frcmod file. I guess these parameters are
missing...

Why do you use this "old' parm94.dat ? More recent versions are available now.

regards, Francois

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