I would like to suggest that you include the carbohydrate force field of J Brady (CSFF). Here are some references and download sites
Journal of computational chemistry 2002, vol. 23, no13, pp. 1236-1243 http://people.cs.uct.ac.za/~mkuttel/downloads.html Thanks Gil Claudio > Dear gromacs users, > > I'm a new PhD student in Erik Lindahl's group and we > are currently > working on an "official" implementation of the > charmm ff in gromacs > which also supports CMAP. There's still some more > work needed on the > CMAP part but we intend to have a (thoroughly) > tested version of the > protein lipid charmm force field completed New > Yearish. The problem with > the multiple entries (see thread "CHARMM force field > implementation in > Gromacs" in gmx-users) of certain (proper) dihedrals > where at least one > has a multiplicity > 5 is also supported by adding a > new dihedral > type. > > The testing of other system types is something we > would like to > outsource on the gromacs users interested in them > since we don't > normally study other systems than protein-lipid ones > in the group. If > you have a specific system you would like to test in > our new gromacs > version and cannot wait until it's released, please > contact me and we > could arrange something. > > Yours, > Pär > -- > ***************************************************************** > Pär Bjelkmar Stockholm Center for > Biomembrane Research > Tel: +46-8-16 2746 Dep of Biochemistry and > Biophysics > Fax: +46-8-15 3679 Stockholm University > [EMAIL PROTECTED] 10691 Stockholm, Sweden > ***************************************************************** ____________________________________________________________________________________ Want to start your own business? Learn how on Yahoo! Small Business. http://smallbusiness.yahoo.com/r-index _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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/mailing_lists/users.php
