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Just wondering how the improper dihedrals are generated from the i - l
terms included in the ff__bon.itp<br><br>
Reason being I get a warning "No default Improper Dih. types"
when using grompp on a molecule and are trying to work out what I am
missing in the bon.itp file i.e. which of the i-l pair is missing to
generate the improper.<br><br>
What makes it rather weird is it is the C=O planar section of an amide
bond where the error appearing, and I have (well I think I have, and it
does look like it) defined the improper in the same manner that it is
done for the amino acid residues in the .rtp files.<br><br>
Any suggestions?<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>