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<DIV><FONT size=2 face=Arial>Hi all:</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>I tried to produce the distribution of ethane using
SD integrator of GROMACS 4.0. It appears that the distribution obtained
from SD is different from the one obtained using MD.
However, </FONT><FONT size=2 face=Arial> I can produce the
distribution of Methane using SD that matches the one
obtained using MD. Distibution is attached.
All the files, including the tabluated potential (which I used for
interactions among atoms), are attached. I am not sure if I am missing
anything for ethane SD. </FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>I would really appreciate if anyone can help me to
find out why I am getting an unexpected distribution for
ethane using SD integrator.</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Thanks,</FONT></DIV>
<DIV><FONT size=2 face=Arial>M. H.
Rahman</FONT></DIV></FONT></DIV></BODY></HTML>