I will use amber 11. Is it still the same procedure?
/Urszula
________________________________________
Von: FyD [fyd.q4md-forcefieldtools.org]
Gesendet: Mittwoch, 16. Mai 2012 21:30
An: AMBER Mailing List
Betreff: Re: [AMBER] 1-4 scale factors
Urszula,
I think you need to report which Amber version you use...
regards, Francois
> I would like to somehow use the 1-4 scale factors, could someone
> tell me how to define it? should I do it in input file? or during
> the topology file preparations?
>
>
> | Note: 1-4 EEL scale factors were NOT found in the topology file.
> | Using default value of 1.2.
>
> | Note: 1-4 VDW scale factors were NOT found in the topology file.
> | Using default value of 2.0.
> | Duplicated 0 dihedrals
> | Duplicated 0 dihedrals
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Received on Wed May 16 2012 - 15:00:02 PDT
