[gmx-users] Force fields

Alex alexanderwien2k at gmail.com
Sun Apr 29 17:52:12 CEST 2018


Any idea, please?
Cheers,
Alex

On Fri, Apr 27, 2018 at 5:50 PM, Alex <alexanderwien2k at gmail.com> wrote:

> Dear all,
> I have the Gromos-54A7 force fields (FF) for the molecule number 1 in the
> below link, using thoes how I can have the FF for the molecules number 2,3
> and 4 in the same link without doing extra calculations? What could be the
> relation between the FF of other molecule with the FF of molecule number 1?
> Molecules 2,3 and 4 are the output of a kind of condensation reaction
> happening between two number 1 molecule in sequence.
>
> https://drive.google.com/open?id=1zqLSSdtDHrdVMO567WFSavAiVN-knLuX
>
> Thank you.
> Regards,
> Alex
>


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