logo
Free, unlimited AI code reviews that run on commit
git-lrc git-lrc GitHub Install Now We'd appreciate a star git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt git-lrc - Free, unlimited AI code reviews that run on commit | Product Hunt

gmx-dump - Make binary files human readable

Description

gmxdump reads a run input file (.tpr), a trajectory (.trr/.xtc/tng), an energy file (.edr), a checkpoint
       file  (.cpt)  or  topology  file  (.top)  and  prints that to standard output in a readable format.  This
       program is essential for checking your run input file in case of problems.

Known Issues

       • The .mdp file produced by -om can not be read by grompp.

Name

       gmx-dump - Make binary files human readable

Options

       Options to specify input files:

       -s<.tpr>(Optional)
              Run input file to dump

       -f<.xtc/.trr/...>(Optional)
              Trajectory file to dump: xtctrrcptgrog96pdbtng-e<.edr>(Optional)
              Energy file to dump

       -cp<.cpt>(Optional)
              Checkpoint file to dump

       -p<.top>(Optional)
              Topology file to dump

       -mtx<.mtx>(Optional)
              Hessian matrix to dump

       Options to specify output files:

       -om<.mdp>(Optional)
              grompp input file from run input file

       Other options:

       -[no]nr(yes)
              Show index numbers in output (leaving them out makes comparison  easier,  but  creates  a  useless
              topology)

       -[no]param(no)
              Show  parameters  for  each  bonded interaction (for comparing dumps, it is useful to combine this
              with -nonr)

       -[no]sys(no)
              List the atoms and bonded interactions for the whole system instead of for each molecule type

       -[no]orgir(no)
              Show input parameters from tpr as they were written by the version that produced the file, instead
              of how the current version reads them

See Also

gmx(1)

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

Synopsis

          gmx dump [-s<.tpr>] [-f<.xtc/.trr/...>] [-e<.edr>] [-cp<.cpt>]
                   [-p<.top>] [-mtx<.mtx>] [-om<.mdp>] [-[no]nr]
                   [-[no]param] [-[no]sys] [-[no]orgir]

See Also