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NAMEgmx-mdmat - Calculate residue contact maps SYNOPSISgmx mdmat [-f [<.xtc/.trr/...>]] [-s [<.tpr/.gro/...>]] [-n [<.ndx>]] DESCRIPTIONgmx mdmat makes distance matrices consisting of the smallest distance between residue pairs. With -frames, these distance matrices can be stored in order to see differences in tertiary structure as a function of time. If you choose your options unwisely, this may generate a large output file. By default, only an averaged matrix over the whole trajectory is output. Also a count of the number of different atomic contacts between residues over the whole trajectory can be made. The output can be processed with gmx xpm2ps to make a PostScript (tm) plot. OPTIONSOptions to specify input files:
Options to specify output files:
Other options:
SEE ALSOgmx(1) More information about GROMACS is available at <http://www.gromacs.org/>. COPYRIGHT2025, GROMACS development team
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