<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><div>On Mar 15, 2013, at 4:13 PM, Eric Pettersen wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><span class="Apple-style-span" style="font-family: monospace; ">break the four bonds to the platinum and treat the system as a metal ion surrounded by four negative ion species and minimize that.</span></span></blockquote><br></div><div>One further note: you will need to ensure that after breaking the bonds you set the idatmType of the nitrogens to N3 (it will probably be N3+).</div><div><br></div><div>--Eric</div><div><br></div><br></body></html>