[gmx-users] -com and -rdf options do not work in gmx rdf analysis

faride badalkhani farideh.khamseh at gmail.com
Mon Aug 7 15:00:36 CEST 2017

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
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.


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