<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>dear Mr Justin A. Lemkul :</DIV>
<DIV>I have read your <U><FONT color=#0066cc>tutorial ,it is suitable for umbrella sampling method, it is not for SMD, wham or g_wham can not be used!</FONT></U></DIV>
<DIV><U><FONT color=#0066cc>Thnak you!</FONT></U><BR><BR><BR><A class=plink href="http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844" target=_blank rel=nofollow><IMG class=pimg alt=4 src="http://opi.yahoo.com/online?u=zhaoxiitc2002&t=4&l=cn" border=0></A><BR><BR>--- <B>10年3月24日，周三, Justin A. Lemkul <I><jalemkul@vt.edu></I></B> 写道：<BR></DIV>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid"><BR>发件人: Justin A. Lemkul <jalemkul@vt.edu><BR>主题: Re: [gmx-users] how to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations<BR>收件人: "Discussion list for GROMACS users" <gmx-users@gromacs.org><BR>日期: 2010年3月24日,周三,下午9:58<BR><BR>
<DIV class=plainMail><BR><BR>xi zhao wrote:<BR>> Dear gromacs users:<BR>> <BR>> How to reconstruct potentials of mean force through time series analysis of SMD or pulling simulations; for example, software or script using, how to reconstruct PMF in detail?<BR>> thank you very much!<BR>> <BR><BR><A href="http://www.gromacs.org/Documentation/Tutorials#Umbrella_Sampling" target=_blank>http://www.gromacs.org/Documentation/Tutorials#Umbrella_Sampling</A><BR><BR>-Justin<BR><BR>> <BR>> 4 <<A href="http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844" target=_blank>http://cn.webmessenger.yahoo.com/index.php?t=1&to=eWlkPXpoYW94aWl0YzIwMDI-&sig=703fa929658518b2720b087c59cd85f2dabf8844</A>><BR>> <BR>> <BR>> <BR><BR>-- ========================================<BR><BR>Justin A. Lemkul<BR>Ph.D. Candidate<BR>ICTAS Doctoral Scholar<BR>MILES-IGERT
Trainee<BR>Department of Biochemistry<BR>Virginia Tech<BR>Blacksburg, VA<BR>jalemkul[at]vt.edu | (540) 231-9080<BR><A href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target=_blank>http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</A><BR><BR>========================================<BR>-- gmx-users mailing list <A href="http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users@gromacs.org" ymailto="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</A><BR><A href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target=_blank>http://lists.gromacs.org/mailman/listinfo/gmx-users</A><BR>Please search the archive at <A href="http://www.gromacs.org/search" target=_blank>http://www.gromacs.org/search</A> before posting!<BR>Please don't post (un)subscribe requests to the list. Use the www interface or send it to <A href="http://cn.mc151.mail.yahoo.com/mc/compose?to=gmx-users-request@gromacs.org"
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