Dear Gromacs Users, I have to run a protein-ligand system. I am using CHARMM36 ff for the simulation. For generating the parameters for the ligand molecule I used the forcefield development toolkit of vmd, which gives CHARMM compatible parameters.
But, I am unable to understand how should I include the parameters I had obtained. I went through the tutorial files which shows an example of PRODRG server for generating the itp file, but my ligand contains metal atoms. I would appreciate if somebody could suggest me how to solve this. Thanks, Soumya -- 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.
