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<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>By some fluke one
of the layers consists of the lipid ratio I require (while the other does not).<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>I will try your
suggestion regarding to horizontal flip of that layer.<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Thanks!<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>-Shay<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>-----Original
Message-----<br>
From: gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] On
Behalf Of Justin A. Lemkul<br>
Sent: Tuesday, June 02, 2009 23:49 PM<br>
To: <st1:PersonName w:st="on">Discussion list for GROMACS users</st1:PersonName><br>
Subject: Re: [gmx-users] Resizing heterogeneous membrane (POPG/POPE mixture)</span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Shay Amram wrote</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>:<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Dear GROMACS users</font><span dir=RTL></span><span lang=HE dir=RTL><span
dir=RTL></span>,<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>I have been trying to expand a membrane by a non-integer multiplier (for</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>example X1.5). This can be done using</font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
*</span>genbox -cs Membrane.gro -o Expanded_membrane.gro –box 1.5X 1.5Y Z</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>***<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>This has worked very good with _homogenous_ membranes, and only very</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>short equilibrium times were required to re-equilibrate the membrane</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
(~10-20</span>ns</font><span dir=RTL></span><span lang=HE dir=RTL><span
dir=RTL></span>).<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Now I am trying to deal the same way with _heterogeneous_ membrane</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
(</span>POPG/POPE mixture, Mikko Karttunen et. al</font><span dir=RTL></span><span
lang=HE dir=RTL><span dir=RTL></span>).<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>When trying to invoke the above command to the POPG/POPE membrane I get</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>a membrane with different compositions of lipids in the upper and lower</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>leaflets</font><span dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>This happens (so I suspect) because the arrangement of lipids in each</font><span
dir=RTL></span><span dir=RTL><span dir=RTL></span> <span lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>leaflet is somewhat different so that the molecules that "get' to
be</font><span dir=RTL></span><span dir=RTL><span dir=RTL></span> <span
lang=HE><o:p></o:p></span></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>multiplied do not conserve the</font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>same ratio of different lipids as in the original structure (which has</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>ratio of 1:3 POPG/POPE</font><span dir=RTL></span><span lang=HE dir=RTL><span
dir=RTL></span>).<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>If you have an
excess of POPE, you can (either manually, or by using a script</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>) <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>randomly choose
some POPE to be converted to (or replaced with) POPG by some</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>clever means. This
is not a trivial task</span></font><span dir=RTL></span><span lang=HE dir=RTL><span
dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Is there a way to multiply the membrane by a _non-integer_ number AND</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>somehow conserve the ratio of different lipid species too</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>?<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>The output is
dependent upon the configuration of the input and the box size, so</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>no, there is no
straightforward, automatic, way of doing so given the</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>constraints of
your box dimensions</span></font><span dir=RTL></span><span lang=HE dir=RTL><span
dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Or at the very least, to have both upper and lower leaflets identical</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>after multiplication? (This, too, would help immensely</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>).<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>If you can
construct a satisfactory monolayer, you can manipulate its</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>coordinates (i.e.
horizontal flip and translation) to create a bilayer. You</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>would have to do
plenty of equilibration after doing so, of course</span></font><span dir=RTL></span><span
lang=HE dir=RTL><span dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>-</span>Justin</font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Thanks</font><span dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>,<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
-</span>Shay</font><span lang=HE dir=RTL><o:p></o:p></span></p>
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<o:p></o:p></span></font></p>
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<o:p></o:p></span></font></p>
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embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
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------------------------------------------------------------------------<o:p></o:p></span></font></p>
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embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
<o:p></o:p></span></font></p>
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_______________________________________________<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>gmx-users mailing list gmx-users@gromacs.org</font><span lang=HE
dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>http://www.gromacs.org/mailman/listinfo/gmx-users</font><span lang=HE
dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Please search the archive at http://www.gromacs.org/search before
posting</font><span dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>!<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Please don't post (un)subscribe requests to the list. Use the</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
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embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>www interface or send it to gmx-users-request@gromacs.org</font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>>
</span>Can't post? Read http://www.gromacs.org/mailing_lists/users.php</font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>--
<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>========================================<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Justin A. Lemkul</span></font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Ph.D. Candidate</span></font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>ICTAS Doctoral
Scholar</span></font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Department of
Biochemistry</span></font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Virginia Tech</span></font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><st1:place w:st="on"><st1:City w:st="on"><font size=3 face=Arial><span
style='font-size:12.0pt'>Blacksburg</span></font></st1:City>, <st1:State
w:st="on">VA</st1:State></st1:place><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>jalemkul[at]vt.edu
| (540) 231-9080</span></font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</span></font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'><o:p> </o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>========================================<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span lang=HE dir=RTL style='font-size:12.0pt'>_______________________________________________<o:p></o:p></span></font></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>gmx-users mailing
list gmx-users@gromacs.org</span></font><span lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>http://www.gromacs.org/mailman/listinfo/gmx-users</span></font><span
lang=HE dir=RTL><o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Please search the
archive at http://www.gromacs.org/search before posting</span></font><span
dir=RTL></span><span lang=HE dir=RTL><span dir=RTL></span>!<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Please don't post
(un)subscribe requests to the list. Use the</span></font><span dir=RTL></span><span
lang=HE dir=RTL><span dir=RTL></span> <o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>www interface or
send it to gmx-users-request@gromacs.org</span></font><span dir=RTL></span><span
lang=HE dir=RTL><span dir=RTL></span>.<o:p></o:p></span></p>
<p class=MsoPlainText dir=LTR style='text-align:left;direction:ltr;unicode-bidi:
embed'><font size=3 face=Arial><span style='font-size:12.0pt'>Can't post? Read
http://www.gromacs.org/mailing_lists/users.php<o:p></o:p></span></font></p>
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