3 <TITLE>g_saltbr
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11 <td ALIGN=LEFT VALIGN=TOP WIDTH=
280><br><h2>g_saltbr
</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 g_saltbr plots the distance between all combination of charged groups
18 as a function of time. The groups are combined in different ways.
19 A minimum distance can be given, (eg. the cut-off), then groups
20 that are never closer than that distance will not be plotted.
<br>
21 Output will be in a number of fixed filenames, min-min.
<a href=
"xvg.html">xvg
</a>, plus-min.
<a href=
"xvg.html">xvg
</a>
22 and plus-plus.
<a href=
"xvg.html">xvg
</a>, or files for every individual ion-pair if the
<tt>-sep
</tt>
23 option is selected. In this case files are named as
<tt>sb-ResnameResnr-Atomnr
</tt>.
24 There may be many such files.
27 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
28 <TR><TH>option
</TH><TH>filename
</TH><TH>type
</TH><TH>description
</TH></TR>
29 <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>
30 <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>
33 <H3>Other options
</H3>
34 <TABLE BORDER=
1 CELLSPACING=
0 CELLPADDING=
2>
35 <TR><TH>option
</TH><TH>type
</TH><TH>default
</TH><TH>description
</TH></TR>
36 <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>
37 <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>
38 <TR><TD ALIGN=RIGHT
> <b><tt>-nice
</tt></b> </TD><TD ALIGN=RIGHT
> int
</TD><TD ALIGN=RIGHT
> <tt>19</tt> </TD><TD> Set the nicelevel
</TD></TD>
39 <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>
40 <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>
41 <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>
42 <TR><TD ALIGN=RIGHT
> <b><tt>-t
</tt></b> </TD><TD ALIGN=RIGHT
> real
</TD><TD ALIGN=RIGHT
> <tt>1000 </tt> </TD><TD> trunc distance
</TD></TD>
43 <TR><TD ALIGN=RIGHT
> <b><tt>-[no]sep
</tt></b> </TD><TD ALIGN=RIGHT
> gmx_bool
</TD><TD ALIGN=RIGHT
> <tt>no
</tt> </TD><TD> Use separate files for each interaction (may be MANY)
</TD></TD>
48 <font size=
"-1"><a href=
"http://www.gromacs.org">http://www.gromacs.org
</a></font><br>
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"-1"><a href=
"mailto:gromacs@gromacs.org">gromacs@gromacs.org
</a></font><br>