If no good model of CO2 still exists, we can publish a right one. It is very simple. I assume that C-O bond polarity is significantly different in the supercritical state and in the gas state.
On Fri, May 1, 2015 at 3:30 PM, Alex <[email protected]> wrote: > I wasn't talking about the initial post. I was talking about the fact > that in _very stable_ states the same numerical simulation with a > supposedly well-established set of interactions produces garbage. > > VVC> The point is that any metastable state in numerical simulations > VVC> requires fine-tuned Hamiltonians. > > > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a > mail to [email protected]. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
