.TH make_ndx 1 "Mon 4 Apr 2011" "" "GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c" .SH NAME make_ndx - makes index files .B VERSION 4.5.4-dev-20110404-bc5695c .SH SYNOPSIS \f3make_ndx\fP .BI "\-f" " conf.gro " .BI "\-n" " index.ndx " .BI "\-o" " index.ndx " .BI "\-[no]h" "" .BI "\-[no]version" "" .BI "\-nice" " int " .BI "\-natoms" " int " .SH DESCRIPTION \&Index groups are necessary for almost every gromacs program. \&All these programs can generate default index groups. You ONLY \&have to use \fB make_ndx\fR when you need SPECIAL index groups. \&There is a default index group for the whole system, 9 default \&index groups for proteins, and a default index group \&is generated for every other residue name. \&When no index file is supplied, also \fB make_ndx\fR will generate the \&default groups. \&With the index editor you can select on atom, residue and chain names \&and numbers. \&When a run input file is supplied you can also select on atom type. \&You can use NOT, AND and OR, you can split groups \&into chains, residues or atoms. You can delete and rename groups. \&The atom numbering in the editor and the index file starts at 1. .SH FILES .BI "\-f" " conf.gro" .B Input, Opt. Structure file: gro g96 pdb tpr etc. .BI "\-n" " index.ndx" .B Input, Opt., Mult. Index file .BI "\-o" " index.ndx" .B Output Index file .SH OTHER OPTIONS .BI "\-[no]h" "no " Print help info and quit .BI "\-[no]version" "no " Print version info and quit .BI "\-nice" " int" " 0" Set the nicelevel .BI "\-natoms" " int" " 0" set number of atoms (default: read from coordinate or index file) .SH SEE ALSO .BR gromacs(7) More information about \fBGROMACS\fR is available at <\fIhttp://www.gromacs.org/\fR>.