<table cellspacing='0' cellpadding='0' border='0' ><tr><td valign='top' style='font: inherit;'><P>You can use vmd for dihedral angle vs time plots. Download *.gro and *.xtc files and use label option in vmd for dihedral angles.</P>
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<P>serdar</P>
<P><BR><BR>--- Chih-Ying Lin <I><chihying2008@gmail.com></I></B> schrieb am <B>Mo, 30.6.2008:<BR></P>
<BLOCKQUOTE style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(16,16,255) 2px solid">Von: Chih-Ying Lin <chihying2008@gmail.com><BR>Betreff: [gmx-users] How to calculate dihedral angle ??<BR>An: gmx-users@gromacs.org<BR>Datum: Montag, 30. Juni 2008, 19:32<BR><BR>
<DIV id=yiv740630414><BR>HI<BR>g_chi is designed to help user to calculate the dihedral angles.<BR><BR>I have an organic compound and as the manual describes that .gro , .trr and ssdump.dat are the required input files to compute and collect the dihedral angles with time.<BR><BR><BR>For my case, .gro and .trr files are ready. <BR>How to prepare for ssdump.dat?<BR><BR><BR>Also, how do i tell gromacs the calculate the specific dihedral angles with time for me??<BR>I did not fully understand the manual's description.<BR><BR>thank you<BR><BR>Lin<BR><BR><BR></DIV><PRE>_______________________________________________
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