<html><head></head><body bgcolor="#FFFFFF"><div><br></div><div>Hi,</div><div><br></div><div>You do not need to use the polarizable martini water model to calculate the dipole of molecules. Or I am missing a point here!</div><div><br></div><div>g_dipole should do the work<br><br>XAvier. </div><div><br>On May 13, 2012, at 15:11, dina dusti <<a href="mailto:dinadusti@yahoo.com">dinadusti@yahoo.com</a>> wrote:<br><br></div><div></div><blockquote type="cite"><div><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span>Dear Justin,</span></div><div><br><span></span></div><div><span>Thank you very much from your response.</span></div><div><br><span></span></div><div><span>Best Regards</span></div><div><span>Dina<br></span></div><div><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> Justin A. Lemkul <<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>><br> <b><span style="font-weight: bold;">To:</span></b> dina dusti <<a href="mailto:dinadusti@yahoo.com">dinadusti@yahoo.com</a>>; Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a>> <br> <b><span style="font-weight: bold;">Sent:</span></b> Sunday, May 13, 2012 5:23 PM<br> <b><span style="font-weight:
bold;">Subject:</span></b> Re: [gmx-users] dipole moment<br> </font> </div> <br>
<br><br>On 5/13/12 8:41 AM, dina dusti wrote:<br>> Dear GROMACS Specialists,<br>> <br>> I have one system consists of water and two other molecules. I work by MARTINI<br>> CG force field. I want to calculate dipole moment of molecules in water.<br>> May I ask you to help me, Please?<br>> <br><br>I doubt you can. Unless you are using version 2.P of the force field (which contains polarizable water), MARTINI uses a single, uncharged particle to represent water. If there are no charges, there is no dipole.<br><br>-Justin<br><br>-- ========================================<br><br>Justin A. Lemkul, Ph.D.<br>Department of Biochemistry<br>Virginia Tech<br>Blacksburg, VA<br>jalemkul[at]<a target="_blank" href="http://vt.edu">vt.edu</a> | (540) 231-9080<br><a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br><br>========================================<br><br><br> </div> </div> </div></div></blockquote><blockquote type="cite"><div><span>-- </span><br><span>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a></span><br><span><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a></span><br><span>Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search">http://www.gromacs.org/Support/Mailing_Lists/Search</a> before posting!</span><br><span>Please don't post (un)subscribe requests to the list. Use the </span><br><span>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.</span><br><span>Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists">http://www.gromacs.org/Support/Mailing_Lists</a></span></div></blockquote></body></html>