Dear sir: I can not konw how to use g_sham combining with PCA? can you give me a example? Thank you very much! <BR><BR><B><I>David van der Spoel <spoel@xray.bmc.uu.se></I></B> 写道： <BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">xi zhao wrote:<BR>> Dear sirs:<BR>> How to calculate the probability of conformational distributions in <BR>> gromacs by PCA method? I often meet it, but I do not know how to define <BR>> it! The free energy = -KBTln(probability of conformational distribution).<BR>g_sham<BR><BR>> Thank you for your reply!<BR>> <BR>> ------------------------------------------------------------------------<BR>> Mp3疯狂搜-新歌热歌高速下 <BR>> <HTTP: ?source="mail_mailbox_footer" music.yahoo.com.cn><BR>> <BR>> <BR>> ------------------------------------------------------------------------<BR>> <BR>>
_______________________________________________<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<BR><BR><BR>-- <BR>David.<BR>________________________________________________________________________<BR>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<BR>Dept. of Cell and Molecular Biology, Uppsala University.<BR>Husargatan 3, Box 596, 75124 Uppsala, Sweden<BR>phone: 46 18 471 4205 fax: 46 18 511 755<BR>spoel@xray.bmc.uu.se spoel@gromacs.org http://folding.bmc.uu.se<BR>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR>_______________________________________________<BR>gmx-users mailing list
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