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<div class=Section1>
<p class=MsoNormal><font size=3 color=black face="Times New Roman"><span
style='font-size:12.0pt'>Dear Yang Ye,</span></font></p>
<p class=MsoNormal><font size=3 color=black face="Times New Roman"><span
style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal><font size=3 color=black face="Times New Roman"><span
style='font-size:12.0pt'>I thank you so much for guiding me.</span></font></p>
<p class=MsoNormal><font size=3 color=black face="Times New Roman"><span
style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'>I wish you and all the Gromacs
users a merry Christmas, and a great and prosperous 2006!!!</span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'>All the best,</span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal style='text-autospace:none'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'>Junfang</span></font></p>
<p class=MsoNormal><font size=3 color=black face="Times New Roman"><span
style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'> </span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'> </span></font></p>
<p class=MsoNormal><font size=2 color=navy face=Arial><span style='font-size:
10.0pt;font-family:Arial;color:navy'> </span></font></p>
<p class=MsoNormal style='margin-left:36.0pt'><font size=2 color=black
face=Tahoma><span style='font-size:10.0pt;font-family:Tahoma;color:windowtext'>-----Original
Message-----<br>
<b><span style='font-weight:bold'>From:</span></b>
gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] <b><span
style='font-weight:bold'>On Behalf Of </span></b>Yang Ye<br>
<b><span style='font-weight:bold'>Sent:</span></b> Thursday, 22 December 2005
6:10 PM<br>
<b><span style='font-weight:bold'>To:</span></b> Discussion list for GROMACS
users<br>
<b><span style='font-weight:bold'>Subject:</span></b> Re: [gmx-users]</span></font></p>
<p class=MsoNormal style='margin-left:36.0pt'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'> </span></font></p>
<p class=MsoNormal style='margin-left:36.0pt'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'>Try use table (see manual
6.4.2). Note that there is new option available in 3.3 that you can assign
different table for the interactions between different groups of atoms. Check
3.3's document (share/html/online.html), section "mdp option".<br>
<br>
Yang Ye<br>
<br>
<a href="mailto:Junfang.Zhang@csiro.au">Junfang.Zhang@csiro.au</a> wrote: </span></font></p>
<pre style='margin-left:36.0pt' wrap=""><font size=2 color=black
face="Courier New"><span style='font-size:10.0pt'>Dear Gromacs users,</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'> </span></font></pre><pre style='margin-left:
36.0pt'><font size=2 color=black face="Courier New"><span style='font-size:
10.0pt'>If I use the MCY potential which takes the form as follows</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'>(a exp (-br) - c exp (-dr) + qq/r),</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'> </span></font></pre><pre style='margin-left:
36.0pt'><font size=2 color=black face="Courier New"><span style='font-size:
10.0pt'>which source files in GROMACS do I need to modify?</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'> </span></font></pre><pre style='margin-left:
36.0pt'><font size=2 color=black face="Courier New"><span style='font-size:
10.0pt'> </span></font></pre><pre style='margin-left:36.0pt'><font size=2
color=black face="Courier New"><span style='font-size:10.0pt'>Thanks,</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'> </span></font></pre><pre style='margin-left:
36.0pt'><font size=2 color=black face="Courier New"><span style='font-size:
10.0pt'>Junfang</span></font></pre><pre style='margin-left:36.0pt'><font
size=2 color=black face="Courier New"><span style='font-size:10.0pt'> </span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'>_______________________________________________</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'>gmx-users mailing list</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'><a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'><a
href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a></span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'>Please don't post (un)subscribe requests to the list. Use the </span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'>www interface or send it to <a
href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</span></font></pre><pre
style='margin-left:36.0pt'><font size=2 color=black face="Courier New"><span
style='font-size:10.0pt'> </span></font></pre><pre style='margin-left:
36.0pt'><font size=2 color=black face="Courier New"><span style='font-size:
10.0pt'> </span></font></pre>
<p class=MsoNormal style='margin-left:36.0pt'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'> </span></font></p>
<div>
<p class=MsoNormal style='margin-left:36.0pt'><font size=3 color=black
face="Times New Roman"><span style='font-size:12.0pt'>-- <br>
<i><span style='font-style:italic'>Regards,</span></i><br>
Yang Ye<br>
</span></font><i><font size=2><span style='font-size:10.0pt;font-style:italic'>Computational
Biology Lab<br>
School of Biological Sciences<br>
Nanyang Technological University<br>
Singapore<br>
Tel: 6316-2884</span></font></i></p>
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