NAME

       gmx-convert-tpr - Make a modifed run-input file

SYNOPSIS

          gmx convert-tpr [-s [<.tpr>]] [-n [<.ndx>]] [-o [<.tpr>]]
                       [-extend <real>] [-until <real>] [-nsteps <int>]
                       [-[no]zeroq]

DESCRIPTION

       gmx convert-tpr can edit run input files in three ways.

       1.  by  modifying  the number of steps in a run input file with options -extend, -until or
       -nsteps (nsteps=-1 means unlimited number of steps)

       2. by creating a .tpx file for a subset of your original tpx file, which  is  useful  when
       you  want  to remove the solvent from your .tpx file, or when you want to make e.g. a pure
       Calpha .tpx file.  Note that you may need to use -nsteps -1 (or similar) to  get  this  to
       work.  WARNING: this .tpx file is not fully functional.

       3.  by  setting  the  charges of a specified group to zero. This is useful when doing free
       energy estimates using the LIE (Linear Interaction Energy) method.

OPTIONS

       Options to specify input files:

       -s [<.tpr>] (topol.tpr)
              Portable xdr run input file

       -n [<.ndx>] (index.ndx) (Optional)
              Index file

       Options to specify output files:

       -o [<.tpr>] (tprout.tpr)
              Portable xdr run input file

       Other options:

       -extend <real> (0)
              Extend runtime by this amount (ps)

       -until <real> (0)
              Extend runtime until this ending time (ps)

       -nsteps <int> (0)
              Change the number of steps

       -[no]zeroq (no)
              Set the charges of a group (from the index) to zero

SEE ALSO

       gmx(1)

       More information about GROMACS is available at <http://www.gromacs.org/>.

COPYRIGHT

       2020, GROMACS development team