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Eric and David, thanks for the help with the improper dihedrals.
Got that one worked out now, I think ;-)<br><br>
Quick question.<br><br>
The CH2-CH2 dihedral in a straight alkane/amide chain (it is located next
to the amide bond), how often would you see it flip/move from around the
move stable 180/-180 trans conformation?<br><br>
Say for a simulation, at 310K, over 200 ps, is that long enough to see
the dihedral rotating?<br><br>
I am just trying to work out if the chain I have is behaving correctly,
and so far I don't see it going very far beyond the 180/-180
point.<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>