1ngmx(1) GROMACS suite, VERSION 4.5 ngmx(1)
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6 ngmx - displays a trajectory
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8 VERSION 4.5
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11 ngmx -f traj.xtc -s topol.tpr -n index.ndx -[no]h -[no]version -nice
12 int -b time -e time -dt time
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15 ngmx is the Gromacs trajectory viewer. This program reads a trajectory
16 file, a run input file and an index file and plots a 3D structure of
17 your molecule on your standard X Window screen. No need for a high end
18 graphics workstation, it even works on Monochrome screens.
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21 The following features have been implemented: 3D view, rotation, trans‐
22 lation and scaling of your molecule(s), labels on atoms, animation of
23 trajectories, hardcopy in PostScript format, user defined atom-filters
24 runs on MIT-X (real X), open windows and motif, user friendly menus,
25 option to remove periodicity, option to show computational box.
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28 Some of the more common X command line options can be used:
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30 -bg, -fg change colors, -font fontname, changes the font.
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33 -f traj.xtc Input
34 Trajectory: xtc trr trj gro g96 pdb cpt
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36 -s topol.tpr Input
37 Run input file: tpr tpb tpa
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39 -n index.ndx Input, Opt.
40 Index file
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44 -[no]hno
45 Print help info and quit
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47 -[no]versionno
48 Print version info and quit
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50 -nice int 0
51 Set the nicelevel
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53 -b time 0
54 First frame (ps) to read from trajectory
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56 -e time 0
57 Last frame (ps) to read from trajectory
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59 -dt time 0
60 Only use frame when t MOD dt = first time (ps)
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64 - Balls option does not work
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66 - Some times dumps core without a good reason
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70 gromacs(7)
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72 More information about GROMACS is available at <http://www.gro‐
73 macs.org/>.
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77 Thu 26 Aug 2010 ngmx(1)