This is review of all the carbohydrate force fields. It's only missing the latest CHARM one which I think is available in the latest release of gromacs.
E. Fadda and R.J. Woods, “*Molecular* *Simulations* of *Carbohydrates* and * Protein-Carbohydrate* *Interactions*: *Motivation*, *Issues*, and *Prospects *”, *Drug* Discov.*Today*., *2010* ** *Oliver* ** ** On 7 April 2011 07:47, <[email protected]> wrote: > Here are few papers you can refer to: > > Gromos forcefield for hexopyronase-based carbohydrates - Roberto D.Lins > and Philippe H. Hunenberger 2005 > > (In gromos forcefield there are parameters for galactose) > > An improved OPLS?AA force field for carbohydrates- D Kony 2002 > > Hope it helps! > > Nisha P > > > > > > > Quoting Michael Brunsteiner <[email protected]>: > > >> Dear all, >> >> I understand that most major force fields (charmm, opls, amber, >> gromos?...) >> come with parameters for sugars. I wonder: >> >> 1) if any work has been done/published comparing >> the accuracy of these different sugar force fields >> >> 2) Of the force fields that come with gromacs is there one >> for which making sugar topologies is as straight forward as making >> topologies for amino acids, or if there is no such thing for which FF is >> making a sugar topology the least tedious? >> >> BTW: I want to model simple sugar molecules, monomers, >> dimers (no polymers) >> >> thanks! >> >> Michael >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> >> > > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use thewww interface > or send it to [email protected]. > > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
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