Hi, I am trying to use the CHARMM27 force field to Gromacs to simulate two proteins unite with command -merge, but the following error message is coming: "Opening library file /storage2/rgr/software/gromacs/share/gromacs/top/aminoacids.dat
WARNING: atom C is missing in residue LYSH 16 in the pdb file WARNING: atom C is missing in residue LYSH 32 in the pdb file ------------------------------------------------------- Program pdb2gmx_d, VERSION 3.3.3 Source code file: pdb2top.c, line: 697 Fatal error: There were 2 missing atoms in molecule Protein_A, if you want to use this incomplete topology anyhow, use the option -missing -------------------------------------------------------" Can you help me? See you soon. _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
