Dear Stéphane,
thank you for the papers
BR
Ricky
On Fri, 3 Apr 2020 at 13:25, ABEL Stephane <Stephane.ABEL.cea.fr> wrote:
> Hello
>
> For DPC you could see my paper to have the RESP charges and have some
> advices
>
> https://pubs.acs.org/doi/10.1021/ct3003207
>
> For SDS see for instance this paper
>
>
> https://pubs.rsc.org/en/content/articlelanding/2011/sm/c1sm05708a#!divAbstract
>
> Best
>
> Stéphane
>
> ________________________________________
> De : Ricky Nencini [nencini.ricky.gmail.com]
> Envoyé : vendredi 3 avril 2020 12:17
> À : amber.ambermd.org
> Objet : [AMBER] Amber force field for SDS and DPC detergents
>
> Hello all,
>
> I am new to the Amber force-field.
> I would like to simulate micelles containing SDS and DPC detergents and I
> need to get topology files.
>
> I would like to ask what is the best procedure? Should I treat these
> detergents as "unknown molecule" and use Antechamber or Paramfit? Or should
> I somehow combine the force field for lipids and glycans?
>
> Thank you for any help
>
> Best regards,
> Ricky
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Received on Fri Apr 03 2020 - 10:30:02 PDT
