Dear GROMACS users I am trying to calculate radial density monomer density profiles with respect to the COM distance for a system composed of polymer+drug in water. I have used the following command according to gromacs online manual gmx rdf -com -rdf mol_com -f md-nopbc.xtc -s md.tpr -n rdf.ndx -o rdf_cl.xvg but I get this error:
Program: gmx rdf, VERSION 5.1.3 Source file: src/gromacs/commandline/cmdlineparser.cpp (line 234) Function: void gmx::CommandLineParser::parse(int*, char**) Error in user input: Invalid command-line options Unknown command-line option -com Unknown command-line option -rdf For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors any help will be appreciated. Regards, Farideh -- 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.