<html><body><div style="color:#000; background-color:#fff; 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 size="2" face="Arial"> <hr size="1"> <b><span style="font-weight:bold;">From:</span></b> Dariush Mohammadyani
<d.mohammadyani@gmail.com><br> <b><span style="font-weight: bold;">To:</span></b> dina dusti <dinadusti@yahoo.com>; Discussion list for GROMACS users <gmx-users@gromacs.org> <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>
<meta http-equiv="x-dns-prefetch-control" content="off"><div id="yiv2028740999"><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 class="yiv2028740999gmail_quote">On Thu, Mar 8, 2012 at 2:34 PM, dina dusti <span dir="ltr"><<a rel="nofollow" ymailto="mailto:dinadusti@yahoo.com" target="_blank" href="mailto:dinadusti@yahoo.com">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="yiv2028740999gmail_quote"><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 class="yiv2028740999HOEnZb"><font color="#888888"><div>Dina<br></div><div><br></div><div></div></font></span></div></div><br>--<br>
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