Hi, After Successfully neutralizing and sd minimization of the system, I got the below error when I try the grompp for position restrained step. The command I used is :grompp -v -f eqn1.mdp -c complx_sd.pdb -p complx.top -o complx_eqn1.tpr
Any help will be highly appreciated. Many thanks. Error message: ------------------------------------------------------- Program grompp, VERSION 4.5.5 Source code file: readir.c, line: 1320 Fatal error: Group CA not found in index file. Group names must match either [moleculetype] names or custom index group names,in which case you must supply an index file to the '-n' option of grompp. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors -------------------------------------------------------
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users 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
