AMBER Archive (2006)

Subject: Re: AMBER: GAFF parameters: DPPC Bilayer

From: Nitin Bhardwaj (nbhardwaj_at_gmail.com)
Date: Tue Aug 08 2006 - 14:58:59 CDT

Hi akshay,
  Yeah its fine to use GAFF parameters for DPPC bilayer. The only
thing is in that case you should use GAFF parameters for protein,
water and counter-ions in your system.

Rgds,
Nitin
On 08/08/06, Akshay Patny <akshay17_at_olemiss.edu> wrote:
> Hi All
>
> I am trying to simulate a GPCR in the pre-hydrated membrane
> bilayer environment. A recent publication: (JMC 2006;
> 49(14); 4305-4316) assigned GAFF parameters to ligand and
> DPCC molecules.
>
> I am curious if it is reasonable to use GAFF parameters for
> the DPPC bilayer as I also intend to use DPPC bilayer.
>
> Thanks.
> Akshay
>
>
>
>
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