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David,<br><br>
<blockquote type=cite class=cite cite>The logic in the program seems to
be OK. It only works for dihedrals of<br>
course. Do you not get an output file? It should contain a number<br>
between 0 and 1 as a fuction of time.</blockquote><br>
I put in:<br>
<x-tab> </x-tab>g_angle -f
md_a -s md_a -n dihedral -type dihedral -od -of -ot<br><br>
This generates:<br>
<x-tab> </x-tab>angdist.xvg<br>
<x-tab> </x-tab>dihtrans.xvg<br>
<x-tab> </x-tab>trhisto.xvg<br><br>
The last file should be generated by the -oh switch. The file
contains time vs #.<br><br>
The table for the command (which appears for every GROMACS command
executed) summarises that command switches correctly.<br><br>
Catch ya,<br>
<x-sigsep><p></x-sigsep>
<b>Dr. Dallas Warren<br>
</b><i>Research Fellow<br>
</i>Department of Pharmaceutical Biology and Pharmacology<br>
Victorian College of Pharmacy<br>
Monash University<br>
381 Royal Parade<br>
Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9076</html>