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<DIV><FONT face=Arial size=2>I guess you have been reading papers from NMR
procedures to </FONT></DIV>
<DIV><FONT face=Arial size=2>generate </FONT><FONT face=Arial size=2>their
models corresponding to the data. If that what you </FONT></DIV>
<DIV><FONT face=Arial size=2>are doing </FONT><FONT face=Arial
size=2>It would be easier to get a program that NMR people </FONT></DIV>
<DIV><FONT face=Arial size=2>use, </FONT><FONT face=Arial size=2>is is probably
implemented </FONT></DIV>
<DIV><FONT face=Arial size=2>It seeems difficult to do that automatically in
gromacs, at least for me.</FONT></DIV>
<DIV><FONT face=Arial size=2>I guess you that could modify </FONT><FONT
face=Arial size=2>the strength of the constant on the angles</FONT></DIV>
<DIV><FONT face=Arial size=2>and bonds in the parameter file and do that for
each temperature you</FONT></DIV>
<DIV><FONT face=Arial size=2>need but that's gonna to be a pain in the
...</FONT></DIV>
<DIV><FONT face=Arial size=2>I don't know what you are doing but I can assure
you that at 10000 K </FONT></DIV>
<DIV><FONT face=Arial size=2>the system is pretty flexible. Try to simulate it
for 10 ps at 10000 K </FONT></DIV>
<DIV><FONT face=Arial size=2>and look at the trajectory !! It should convice
you. But I don't know if</FONT></DIV>
<DIV><FONT face=Arial size=2>it is relevant for your problem. </FONT></DIV>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>XAvier</FONT></DIV>
<DIV> </DIV>
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