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 Wed Oct 28 2020 - 11:00:03 PDT
