Hello all, I want to carry out MD simulation on a protein containing iron-sulfur clusters(Fe2S2) using Gromacs. I have used CHARMM and AMBER force field. But every time I get the error "The residue topology parameter for FES is not found".
But I found in literature that this type of complexes are simulated using CHARMM22 ff and CHARMM program package. Can any one suggest me how can I do so in Gromacs? Thanks in advance. -- 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.
