<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1481102919409_18462" dir="ltr"><span>Dear Daniel </span></div><div id="yui_3_16_0_ym19_1_1481102919409_18462" dir="ltr">the BSA has thiolate<span id="yui_3_16_0_ym19_1_1481102919409_18918"><font face="verdana, helvetica, sans-serif" size="2" id="yui_3_16_0_ym19_1_1481102919409_19165"> </font><font face="verdana, helvetica, sans-serif" size="3" id="yui_3_16_0_ym19_1_1481102919409_19304">ligands. I would like improve my work</font></span></div><div id="yui_3_16_0_ym19_1_1481102919409_18462" dir="ltr"><font face="verdana, helvetica, sans-serif" size="3" id="yui_3_16_0_ym19_1_1481102919409_19328">I m looking for any guide or training. im interesting</font></div><div id="yui_3_16_0_ym19_1_1481102919409_18462" dir="ltr"><font face="verdana, helvetica, sans-serif" size="3">regard</font></div><div></div><div id="yui_3_16_0_ym19_1_1481102919409_18452"> </div><div class="signature" id="yui_3_16_0_ym19_1_1481102919409_18567"><span style="font-size:small;font-weight:bold;" id="yui_3_16_0_ym19_1_1481102919409_18663">Sinan Adnan Abdulateef</span><div id="yui_3_16_0_ym19_1_1481102919409_18566"><span style="font-size:small;font-weight:bold;" id="yui_3_16_0_ym19_1_1481102919409_18665">Ph.D student </span></div><div id="yui_3_16_0_ym19_1_1481102919409_18921"><span style="font-size:small;font-weight:bold;" id="yui_3_16_0_ym19_1_1481102919409_19498">email: sinan1974@yahoo.com</span></div><div id="yui_3_16_0_ym19_1_1481102919409_18654"><span style="font-size:small;font-weight:bold;" id="yui_3_16_0_ym19_1_1481102919409_18653">hand phone: +601111869605</span></div><div id="yui_3_16_0_ym19_1_1481102919409_18924"><span style="font-size:small;font-weight:bold;">school of physics </span></div><div id="yui_3_16_0_ym19_1_1481102919409_18926"><span style="font-size:small;font-weight:bold;">USM</span></div></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> On Thursday, November 24, 2016 10:19 PM, Dan Gezelter <gezelter@nd.edu> wrote:<br></font></div> <br><br> <div class="y_msg_container">Dear Sinan,<br clear="none"><br clear="none"> The first step will be creating a force field. This will define the interactions you want to model in your system. Gold particles with small molecule ligands have relatively simple force fields, but protein force fields are typically quite complex. If you look in the forceFields directory in the OpenMD distribution, you will see a number of examples. <br clear="none"><br clear="none">The MnM.frc file defines a force field that we used for gold nanoparticles coated with simple thiolate ligands.<br clear="none">The Amber.99.frc file defines the Amber99SB force field which might be appropriate for proteins. <br clear="none"><br clear="none">However, defining cross interactions between the protein atoms and the gold will require a modified force field file that defines all the interactions you want to use.<br clear="none"><br clear="none">Best regards,<br clear="none"><br clear="none"> —Dan Gezelter<br clear="none"><br clear="none"><div class="yqt5701021951" id="yqtfd44527"><br clear="none">> On Nov 23, 2016, at 11:16 PM, sanan abd <<a shape="rect" ymailto="mailto:sinan1974@yahoo.com" href="mailto:sinan1974@yahoo.com">sinan1974@yahoo.com</a>> wrote:<br clear="none">> <br clear="none">> Have nice day<br clear="none">> my name Sinan Adnan . i would like to give information about OPenMD. im working to the gold nanoparticles conjugated with bovine serum albumin. <br clear="none">> can u help me to do software to improve and support my research work by using openMD if possible.<br clear="none">> regard <br clear="none">> <br clear="none">> Sinan Adnan Abdulateef<br clear="none">> Ph.D student <br clear="none">> email: <a shape="rect" ymailto="mailto:sinan1974@yahoo.com" href="mailto:sinan1974@yahoo.com">sinan1974@yahoo.com</a><br clear="none">> hand phone: +601111869605<br clear="none">> school of physics <br clear="none">> USM</div><br clear="none"><br clear="none"><br clear="none"><br clear="none">*************************************************************<br clear="none"> J. Daniel Gezelter<br clear="none"> Professor and Director of Undergraduate Studies<br clear="none"> Department of Chemistry and Biochemistry<br clear="none"> 251 Nieuwland Science Hall<br clear="none"> University of Notre Dame<br clear="none"> Notre Dame, IN 46556-5670<br clear="none"><br clear="none"> <a shape="rect" ymailto="mailto:gezelter@nd.edu" href="mailto:gezelter@nd.edu">gezelter@nd.edu</a> | (574) 631-7595 | <a shape="rect" href="http://gezelterlab.org/" target="_blank">http://gezelterlab.org</a><div class="yqt5701021951" id="yqtfd07284"><br clear="none">*************************************************************<br clear="none"></div><br><br></div> </div> </div> </div></div></body></html>