I typed "amber co2 parameters" into google and found lots of results that
looked relevant, including some papers. I'd start there...also there has
been discussion before on this list, use the search function on the
ambermd.org web site and you should see them and can see what has been
suggested in the past. good luck!
On Wed, Oct 28, 2020 at 3:20 PM Michele Vanini <
michele.vanini.student.kuleuven.be> wrote:
> Ok thanks for the information. And do you know if does AMBER force field
> have parameters for CO2?
> Because I would prefer to use only AMBER.
>
> Best regards,
> Michele
> ________________________________________
> From: Raman Preet Singh <ramanpreetsingh.hotmail.com>
> Sent: 28 October 2020 18:38
> To: AMBER Mailing List
> Subject: Re: [AMBER] CO2
>
> CHARMM topology files have parameters for CO2.
>
> Get Outlook for Android<https://aka.ms/ghei36>
>
> ________________________________
> From: Michele Vanini <michele.vanini.student.kuleuven.be>
> Sent: Wednesday, October 28, 2020 10:25:40 PM
> To: amber.ambermd.org <amber.ambermd.org>
> Subject: [AMBER] CO2
>
> Dear Amber users,
>
>
> I know that a similar question was asked more than 10 years ago and maybe
> with some new updates it is now possible.
>
> I have to simulate the interaction between a polymer and CO2 using AMBER
> ff.
>
> Is there any residue which I can use? Do you have any suggestions?
>
>
> Best regards,
>
> Michele
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Received on Wed Oct 28 2020 - 13:00:02 PDT
