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 - 03:30:03 PDT
