Re: [AMBER] Amber force field for SDS and DPC detergents

From: ABEL Stephane <>
Date: Fri, 3 Apr 2020 10:25:33 +0000


For DPC you could see my paper to have the RESP charges and have some advices

For SDS see for instance this paper!divAbstract



De : Ricky Nencini []
Envoyé : vendredi 3 avril 2020 12:17
À :
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,
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Received on Fri Apr 03 2020 - 03:30:03 PDT
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