Hello, I'm using Gromacs 4.0.7, and I'm looking for the OPLS-2005 all-atom forcefield, which I'm told contains parameters and residue topologies that will allow me to model beta (1-4) cellobiose.
Does the standard OPLS-AA parameter set supplied with Gromacs 4.0.7 contain the OPLS-2005 parameters for carbohydrates (the files are labelled '2001 amino acid dihedrals') ? If so, can anyone tell me what the correct residue names are for use with cellobiose? If not, does anyone have these parameter files so I can just drop them into GMXRC? I have searched the wiki, the mailing list, and the web, but haven't found anything so far. I have found a couple of papers by Kony et al. describing the use of something called OPLS-AA-SEI for carbohydrates, but again, no actual forcefield data. I would be grateful for any help. Many thanks in advance, Steve Kirk Prof. Steven R. Kirk College of Chemistry and Chemical Engineering Hunan Normal University Changsha 40081 Hunan Province, China -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
