Hello Everybody I'm running a production simulation of a kinase (after minimization and equilibration) and after concluded 20ns I got the following problem when I tryied to run g_rmsf
"Fatal error: Molecule in topology has atom numbers below and above natoms (4005). You are probably trying to use a trajectory which does not match the first 4005 atoms of the run input file. You can make a matching run input file with tpbconv. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors"; I insert ions in the PDB and ATP. My ion's topology were included as: "#include "WT_Other_chain_A2.itp", #include "WT_Other_chain_B2.itp"". I don't know if they're causing the trouble. tks for help -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
