3 <TITLE>mk_angndx
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11 <td ALIGN=LEFT VALIGN=TOP WIDTH=
280><br><h2>mk_angndx
</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 mk_angndx makes an index file for calculation of
18 angle distributions etc. It uses a run input file (
<tt>.tpx
</tt>) for the
19 definitions of the angles, dihedrals etc.
22 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
23 <TR><TH>option
</TH><TH>filename
</TH><TH>type
</TH><TH>description
</TH></TR>
24 <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>
25 <TR><TD ALIGN=RIGHT
> <b><tt>-n
</tt></b> </TD><TD ALIGN=RIGHT
> <tt><a href=
"ndx.html"> angle.ndx
</a></tt> </TD><TD> Output
</TD><TD> Index file
</TD></TR>
28 <H3>Other options
</H3>
29 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
30 <TR><TH>option
</TH><TH>type
</TH><TH>default
</TH><TH>description
</TH></TR>
31 <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>
32 <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>
33 <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>
34 <TR><TD ALIGN=RIGHT
> <b><tt>-type
</tt></b> </TD><TD ALIGN=RIGHT
> enum
</TD><TD ALIGN=RIGHT
> <tt>angle
</tt> </TD><TD> Type of angle:
<tt>angle
</tt>,
<tt>dihedral
</tt>,
<tt>improper
</tt> or
<tt>ryckaert-bellemans
</tt> </TD></TD>
35 <TR><TD ALIGN=RIGHT
> <b><tt>-[no]hyd
</tt></b> </TD><TD ALIGN=RIGHT
> gmx_bool
</TD><TD ALIGN=RIGHT
> <tt>yes
</tt> </TD><TD> Include angles with atoms with mass
< 1.5 </TD></TD>
36 <TR><TD ALIGN=RIGHT
> <b><tt>-hq
</tt></b> </TD><TD ALIGN=RIGHT
> real
</TD><TD ALIGN=RIGHT
> <tt>-
1 </tt> </TD><TD> Ignore angles with atoms with mass
< 1.5 and |q|
< hq
</TD></TD>
41 <font size=
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</a></font><br>
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</a></font><br>