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<p class=MsoNormal><span style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>This
reference </span><i>J. Phys. Chem. </i><i><span lang=EN-US>B </span></i><span
lang=EN-US>, 112 (<b>2008</b>), 3529 could be helpful.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'>Angel
Piņeiro.<o:p></o:p></span></p>
<p class=MsoNormal><span lang=EN-US style='font-size:11.0pt;font-family:"Calibri","sans-serif"'><o:p> </o:p></span></p>
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<p class=MsoNormal><b><span lang=ES style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>De:</span></b><span
lang=ES style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>
gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org] <b>En
nombre de </b>fabracht sdf<br>
<b>Enviado el:</b> domingo, 30 de marzo de 2008 06:49 a.m.<br>
<b>Para:</b> gmx-users@gromacs.org<br>
<b>Asunto:</b> [gmx-users] Help with water decane interface<o:p></o:p></span></p>
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<p class=MsoNormal><o:p> </o:p></p>
<p><u><span style='color:#810081'>Dear Gromacs users. I ve been trying to run a
MSD for a G coupled receptor and encountered some problems during my run. <br>
I have encountered a methodology that deals with this type of transmembrane
proteins, and apparently I need to assemble my box with a "tri"
layer, water/decane/water. I found an article entitled "A molecular
Dynamics Study of the Decane/water interface", where the author studies
several aspects in the usage of such boxes.<br>
I need help on how to put together all these water molecules and decane
molecules in the same box. <br>
I thought about simply creating theses boxes in separate using gromacs, and
then simply copying and pasting the coordenates of the molecules into the same
topology file. Apparently I was too naive to think that this simplistic
approach would actually work.<br>
Thank you in advance </span></u><o:p></o:p></p>
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