An easy way is get parameters for CHARMM and use CHARMM-GUI to generate Amber files.
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________________________________
From: Michele Vanini <michele.vanini.student.kuleuven.be>
Sent: Thursday, October 29, 2020 12:50:17 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] CO2
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.
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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 Thu Oct 29 2020 - 00:00:03 PDT
