<DIV>thanks. on a related matter, what is the difference between -fit and -pfit?<BR><BR><B><I>David <spoel@xray.bmc.uu.se></I></B> wrote:
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid">On Sun, 2004-11-28 at 19:58 +0000, Abil Aliev wrote:<BR>> i was wondering if somebody could clarify the rot option of trjconv:<BR>> does this remove both the overall and internal torsional motions or<BR>> only the overall rotation. <BR>only overall.<BR><BR>> <BR>> <BR>> <BR>> <BR>> <BR>> ______________________________________________________________________<BR>> Win a castle for NYE with your mates and Yahoo! Messenger <BR>> _______________________________________________<BR>> gmx-users mailing list<BR>> 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>-- <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://xray.bmc.uu.se/~spoel<BR>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<BR><BR>_______________________________________________<BR>gmx-users mailing list<BR>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></BLOCKQUOTE></DIV><p>
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