AMBER Archive (2008)

Subject: AMBER: Which CO2 potential?

From: Jones de Andrade (johannesrs_at_gmail.com)
Date: Wed Jul 23 2008 - 19:27:58 CDT

Hi all.

I have a really direct question: I have to make a few simulations involving
interation of CO2 molecules with other, with the other molecules, solvents,
etc, all within the AMBER ff.

Which potential should I choose to describe the CO2 molecule? Any
suggestion, please?

Thanks a lot in advance,

Jones

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