4 <LINK rel=stylesheet
href=
"style.css" type=
"text/css">
5 <BODY text=
"#000000" bgcolor=
"#FFFFFF" link=
"#0000FF" vlink=
"#990000" alink=
"#FF0000">
6 <TABLE WIDTH=
"98%" NOBORDER
>
8 <TABLE WIDTH=
400 NOBORDER
>
10 <a href=
"http://www.gromacs.org/"><img SRC=
"../images/gmxlogo_small.png"BORDER=
0 </a></td>
11 <td ALIGN=LEFT VALIGN=TOP WIDTH=
280><br><h2>ngmx
</h2><font size=-
1><A HREF=
"../online.html">Main Table of Contents
</A></font><br><br></td>
12 </TABLE></TD><TD WIDTH=
"*" ALIGN=RIGHT VALIGN=BOTTOM
><p><B>VERSION
4.5<br>
13 Thu
26 Aug
2010</B></td></tr></TABLE>
17 ngmx is the Gromacs trajectory viewer. This program reads a
18 trajectory file, a run input file and an index file and plots a
19 3D structure of your molecule on your standard X Window
20 screen. No need for a high end graphics workstation, it even
21 works on Monochrome screens.
<p>
22 The following features have been implemented:
23 3D view, rotation, translation and scaling of your molecule(s),
24 labels on atoms, animation of trajectories,
25 hardcopy in PostScript format, user defined atom-filters
26 runs on MIT-X (real X), open windows and motif,
27 user friendly menus, option to remove periodicity, option to
28 show computational box.
<p>
29 Some of the more common X command line options can be used:
<br>
30 -bg, -fg change colors, -font fontname, changes the font.
33 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
34 <TR><TH>option
</TH><TH>filename
</TH><TH>type
</TH><TH>description
</TH></TR>
35 <TR><TD ALIGN=RIGHT
> <b><tt>-f
</tt></b> </TD><TD ALIGN=RIGHT
> <tt><a href=
"files.html"> traj.xtc
</a></tt> </TD><TD> Input
</TD><TD> Trajectory:
<a href=
"xtc.html">xtc
</a> <a href=
"trr.html">trr
</a> <a href=
"trj.html">trj
</a> <a href=
"gro.html">gro
</a> <a href=
"g96.html">g96
</a> <a href=
"pdb.html">pdb
</a> cpt
</TD></TR>
36 <TR><TD ALIGN=RIGHT
> <b><tt>-s
</tt></b> </TD><TD ALIGN=RIGHT
> <tt><a href=
"files.html"> topol.tpr
</a></tt> </TD><TD> Input
</TD><TD> Run input file:
<a href=
"tpr.html">tpr
</a> <a href=
"tpb.html">tpb
</a> <a href=
"tpa.html">tpa
</a> </TD></TR>
37 <TR><TD ALIGN=RIGHT
> <b><tt>-n
</tt></b> </TD><TD ALIGN=RIGHT
> <tt><a href=
"ndx.html"> index.ndx
</a></tt> </TD><TD> Input, Opt.
</TD><TD> Index file
</TD></TR>
40 <H3>Other options
</H3>
41 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
42 <TR><TH>option
</TH><TH>type
</TH><TH>default
</TH><TH>description
</TH></TR>
43 <TR><TD ALIGN=RIGHT
> <b><tt>-[no]h
</tt></b> </TD><TD ALIGN=RIGHT
> gmx_bool
</TD><TD ALIGN=RIGHT
> <tt>no
</tt> </TD><TD> Print help info and quit
</TD></TD>
44 <TR><TD ALIGN=RIGHT
> <b><tt>-[no]version
</tt></b> </TD><TD ALIGN=RIGHT
> gmx_bool
</TD><TD ALIGN=RIGHT
> <tt>no
</tt> </TD><TD> Print version info and quit
</TD></TD>
45 <TR><TD ALIGN=RIGHT
> <b><tt>-nice
</tt></b> </TD><TD ALIGN=RIGHT
> int
</TD><TD ALIGN=RIGHT
> <tt>0</tt> </TD><TD> Set the nicelevel
</TD></TD>
46 <TR><TD ALIGN=RIGHT
> <b><tt>-b
</tt></b> </TD><TD ALIGN=RIGHT
> time
</TD><TD ALIGN=RIGHT
> <tt>0 </tt> </TD><TD> First frame (ps) to read from trajectory
</TD></TD>
47 <TR><TD ALIGN=RIGHT
> <b><tt>-e
</tt></b> </TD><TD ALIGN=RIGHT
> time
</TD><TD ALIGN=RIGHT
> <tt>0 </tt> </TD><TD> Last frame (ps) to read from trajectory
</TD></TD>
48 <TR><TD ALIGN=RIGHT
> <b><tt>-dt
</tt></b> </TD><TD ALIGN=RIGHT
> time
</TD><TD ALIGN=RIGHT
> <tt>0 </tt> </TD><TD> Only use frame when t MOD dt = first time (ps)
</TD></TD>
51 <H3>Known problems
</H3>
53 <LI>Balls option does not work
54 <LI>Some times dumps core without a good reason
59 <font size=
"-1"><a href=
"http://www.gromacs.org">http://www.gromacs.org
</a></font><br>
60 <font size=
"-1"><a href=
"mailto:gromacs@gromacs.org">gromacs@gromacs.org
</a></font><br>