<div dir="ltr"><div>I think I made a mistake:</div><div> </div><div>Aniline: SC4 -SC4 - SNd</div><div>Pyrrole: SC4 -SNd</div><div>Tiofen: SC4 - SC5</div><div> </div><div>I am not sure...</div><div> </div><div><br> </div><div class="gmail_quote">
On Thu, Mar 8, 2012 at 3:24 PM, dina dusti <span dir="ltr"><<a href="mailto:dinadusti@yahoo.com" target="_blank">dinadusti@yahoo.com</a>></span> wrote:<br>
<blockquote style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid" class="gmail_quote"><div><div style="font-family:times new roman,new york,times,serif;font-size:12pt">
<div><span>Dear Dariush, <br></span></div><div><br><span></span></div><div><span>Thank you very much from your response.</span></div><div><span>Then you tell me that the definition of aniline and pyrrole, is correct?</span></div>
<div><span>Is your mean about SC5 for tiofen means that it is defined as SC4 and SC5 for tiofen? indeed I had doubt about this definition because S is without H in tiofen.<br></span></div><div>May I know your cause for this definition, Please?</div>
<div><br></div><div>Best Regards</div><div>Dina<br></div> <div style="font-family:times new roman,new york,times,serif;font-size:12pt"> <div style="font-family:times new roman,new york,times,serif;font-size:12pt"> <div dir="ltr">
<font face="Arial"> <hr size="1"> <b><span style="font-weight:bold">From:</span></b> Dariush Mohammadyani
<<a href="mailto:d.mohammadyani@gmail.com" target="_blank">d.mohammadyani@gmail.com</a>><br> <b><span style="font-weight:bold">To:</span></b> dina dusti <<a href="mailto:dinadusti@yahoo.com" target="_blank">dinadusti@yahoo.com</a>>; Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>> <br>
<b><span style="font-weight:bold">Sent:</span></b> Thursday, March 8, 2012 11:24 PM<br> <b><span style="font-weight:bold">Subject:</span></b> Re: [gmx-users] Martini<br> </font> </div> <br>
<div><div dir="ltr"><div>SC5 does not work?<br></div><div>Dariush</div><div> <br>--</div><div dir="ltr"><div>Kind Regards,<br>Dariush Mohammadyani<br>Department of Structural Biology<br>University of Pittsburgh School of Medicine<br>
Biomedical Science Tower 3<br>3501 Fifth Avenue<br>Pittsburgh, PA 15261<br>USA</div></div><div><br></div><div><br> </div><div>On Thu, Mar 8, 2012 at 2:34 PM, dina dusti <span dir="ltr"><<a href="mailto:dinadusti@yahoo.com" rel="nofollow" target="_blank">dinadusti@yahoo.com</a>></span> wrote:<br>
<blockquote style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div><div style="font-family:times new roman,new york,times,serif;font-size:12pt">
<div>Dear Gromacs Specialists,</div><div><br></div><div>May I ask you to help me for definition of pyrrole, tiofen and aniline in MARTINI coarse-grained force field, Please?</div><div>I defined them as following:</div><div>
aniline (one benzene ring+NH2) = SC4, SC4, SNd</div><div>pyrrole (one aromatic ring consists of 4 carbon and one NH) = SC4, SP1</div><div>tiofen (one aromatic ring consists of 4 carbon and one S) = ???</div><div>May I ask you to tell me your idea about these molecules, Please?</div>
<div><br></div><div>Thank you in advance.</div><div>Best Regards</div><span><font color="#888888"><div>Dina<br></div><div><br></div><span><font color="#888888"><div></div></font></span></font></span></div>
</div><span><font color="#888888"><br>--<br>
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Dariush Mohammadyani<br>Department of Structural
Biology<br>University of Pittsburgh School of Medicine<br>Biomedical Science
Tower 3<br>3501 Fifth Avenue<br>Pittsburgh, PA 15261<br>USA</div></div><br>
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