<DIV><FONT size=4>good everyone</FONT></DIV>
<DIV><FONT size=4> i have 2 questions :</FONT></DIV>
<DIV><FONT size=4>1) when i optimized my system of CH3(CH2)13COOH chains with l-bfgs for 5000steps,but it stopped at 467th step,and i found the conformation break,8chains'lost the C-OH bonds,why there was this and what cause this?was this the wrong itp or mdp?</FONT></DIV>
<DIV><FONT size=4>2) when i change the mdp with md,then show the gro atomnumber not incorred with top?why?i still could not find out the reason!</FONT></DIV>
<DIV><FONT size=4>can anyone help me?</FONT></DIV>
<DIV><FONT size=4> thankS!</FONT></DIV>
<DIV> </DIV>
<DIV> </DIV><SPAN ></SPAN><br><!-- footer --><br><br><br><br><br><div style="border-bottom:1px solid #999"></div><br>
<font color="black" style="font-size:14.8px">3G 时 代 来 临 了，坚 决 对 传 统 邮 箱 说 不 ！</font>
<br>
<a href="http://www.126.com/" target="_blank" style="font-size:13px;line-height:160%;color:blue">新 一 代 极 速 3G 邮 箱 闪 亮 登 场 ，280 兆 网 盘 免 费 送 ！ 点 击 此 处 注 册
</a>