<div>try mdrun_d and g_wham:</div> <div>Can you tell me how to produce pdo file?</div> <div>thank you very much!<BR><BR><B><I>黄永棋 <yoqihuang@sina.com></I></B> 写道：</div> <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"> <DIV><FONT size=2>Hi gmx-users</FONT></DIV> <DIV><FONT size=2></FONT> </DIV> <DIV><FONT size=2>I am a gromacs beginner, I want to do the PMF calculation ,I have done as the manual said ,I added the ppa, ndx files and got a pdo file . But I don't know what to do with this pdo file.</FONT></DIV> <DIV><FONT size=2>Can anyone tell me what should I do if I want to calculate the PMF?</FONT></DIV> <DIV><FONT size=2>Thanks in advance.</FONT></DIV> <DIV><FONT size=2></FONT> </DIV> <DIV><FONT size=2></FONT> </DIV> <DIV><FONT size=2>Yongqi
Huang</FONT> <BR><BR>--<BR>黄永棋</DIV><BR><BR>-------------------------------------------------------------------<BR>猜大小单双 16种赚钱的好方法，狂猜狂赚( <A href="http://ad4.sina.com.cn/sina/limeng3/mail_zhuiyu/2007/mail_zhuiyu_20070315.html" target=_blank>http://ad4.sina.com.cn/sina/limeng3/mail_zhuiyu/2007/mail_zhuiyu_20070315.html</A> )<BR><BR>===================================================================<BR>注册新浪2G免费邮箱（ <A href="http://mail.sina.com.cn/chooseMode.html" target=_blank>http://mail.sina.com.cn/chooseMode.html</A> ）_______________________________________________<BR>gmx-users mailing list gmx-users@gromacs.org<BR>http://www.gromacs.org/mailman/listinfo/gmx-users<BR>Please don't post (un)subscribe requests to the list. Use the <BR>www interface or send it to gmx-users-request@gromacs.org.<BR>Can't post? Read http://www.gromacs.org/mailing_lists/users.php</BLOCKQUOTE><BR><p> 
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