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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>
14 <HR>
15 <H3>Description</H3>
16 <p>
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.
20 <P>
21 <H3>Files</H3>
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>
26 </TABLE>
27 <P>
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 &lt; 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 &lt; 1.5 and |q| &lt; hq </TD></TD>
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