Dear Users, I'm performing ligand-protein simulation. My protein has phosphothreonine and phosphoserine residues. So I have cheched this forum and accordingly I have downloaded Charm36 force field November 2018 ( http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs) and kept in my installation directory (/usr/local/gromacs/share/gromacs/top). Upon hitting pdb2gmx, I can see the downloaded force field for phosphorylated residues; "Charm36" in the list, but after selecting this force field I got the following error:
*Fatal error:Residue 'TPO' not found in residue topology database* Please help me to solve this problem. Thank you in advance. Sincerely, Mr. Swapnil Bhujbal PhD Scholar, School of Medicine, Chosun University, South Korea. -- 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.
