1GMX-REPORT-METHODS(1) GROMACS GMX-REPORT-METHODS(1)
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6 gmx-report-methods - Write short summary about the simulation setup to
7 a text file and/or to the standard output.
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10 gmx report-methods [-s [<.tpr/.gro/...>]] [-m [<.tex>]] [-o [<.out>]]
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13 gmx report-methods reports basic system information for the run input
14 file specfied with -s either to the terminal, to a LaTeX formatted out‐
15 put file if run with the -m option or to an unformatted file with the
16 -o option. The functionality has been moved here from its previous
17 place in gmx check.
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20 Options to specify input files:
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22 -s [<.tpr/.gro/...>] (topol.tpr)
23 Run input file for report: tpr gro g96 pdb brk ent
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25 Options to specify output files:
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27 -m [<.tex>] (report.tex) (Optional)
28 LaTeX formatted report output
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30 -o [<.out>] (report.out) (Optional)
31 Unformatted report output to file
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34 gmx(1)
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36 More information about GROMACS is available at <‐
37 http://www.gromacs.org/>.
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40 2022, GROMACS development team
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452022.3 Sep 02, 2022 GMX-REPORT-METHODS(1)