Hello It looks like parameters for Mn/Mn2+ were (somewhat) recently developed for Amber forcefield (http://pubs.acs.org/doi/abs/10.1021/ct400055v); I'd like to use these parameters for a simulation I'd like to run on MntR (PDB: 1ON2 <http://www.rcsb.org/pdb/explore.do?structureId=1on2>), but can't seem to find these files anywhere. Does anyone know where to get them, or how to extract them from Amber (I got ambertools16 but can't seem to find them there either). Any help is greatly appreciated!
Best, -Vito -- 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 gmx-users-requ...@gromacs.org.
