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<DIV><FONT size=2>Dear All:</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I use gromacs3.3 to simulate a DNA. After Equilibration I got
the energy of bond is about 240 kj/mol , but the status on an article is 130
kj/mol .</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>I think it may be the conformation of the molecule need to be
average over a few ps .</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Is there any functions that gromacs has enclude to do
this?</FONT></DIV>
<DIV><FONT size=2></FONT> </DIV>
<DIV><FONT size=2>Thank you all!!</FONT></DIV></BODY></HTML>