<div>Dear all,<BR> <BR>i have got the abnormal values of torsion angle by using g_angle of gromacs.<BR> <BR>g_angle -f whole.xtc -s md.tpr -n index.ndx -ov out_avrg.xvg -od out_dist.xvg -type dihedral<BR> <BR>i use such tool in many systems, the torsions along time seem to be normal except one. And the values are as below.</div> <div> 0.00000 114.224<BR> 0.50000 148.269<BR> 1.00000 111.814<BR> 1.50000 134.277<BR> 2.00000 119.016<BR> 2.50000 164.146<BR> 3.00000 135.531<BR> 3.50000 155.514<BR> 4.00000 141.842<BR> 4.50000 119.932<BR> 5.00000 167.298<BR> 5.50000 142.312<BR> 6.00000 137.572<BR> 6.50000 120.933<BR>
7.00000 102.041<BR> 7.50000 110.602<BR> 8.00000 115.885<BR> 8.50000 121.182<BR> 9.00000 129.657<BR> 9.50000 139.459<BR> 10.00000 103.588<BR>.</div> <div>.</div> <div>.</div> <div>2176.50000 619.006<BR>2177.00000 578.398<BR>2177.50000 604.184<BR>2178.00000 613.300<BR>2178.50000 616.644<BR>2179.00000 624.160<BR>2179.50000 589.085<BR>2180.00000 623.641<BR>2180.50000 587.703<BR>2181.00000 602.743<BR>2181.50000 609.376<BR>2182.00000 615.177<BR>2182.50000 589.517<BR>2183.00000 600.030<BR>2183.50000 597.635<BR>2184.00000 611.222<BR>2184.50000 565.024<BR>2185.00000 623.541<BR>.</div> <div>.</div> <div>.</div>
<div>7995.50049 -590.026<BR>7996.00049 -548.768<BR>7996.50049 -574.251<BR>7997.00049 -530.451<BR>7997.50049 -591.581<BR>7998.00049 -571.748<BR>7998.50049 -541.372<BR>7999.00049 -528.471<BR>7999.50049 -559.895<BR>8000.00049 -602.409<BR><!-- toctype = X-unknown --><!-- toctype = text --><!-- text --><!-- toctype = text --><!-- text --><!-- END TOC --><BR> <BR>Anyone knows my problem, suggest me please.<BR> <BR>Best regards,<BR>Chiloo<BR></div><p> 
                <hr size=1>Stay in the know. Pulse on the new Yahoo.com. <a href="http://us.rd.yahoo.com/evt=42974/*http://www.yahoo.com/preview"> Check it out.</a>