<html>
<blockquote type=cite class=cite cite>this additional Fe .
Specifying the dihedral as a<br>
proper dihedral (type 1) always leads to links error<br>
with the hydrogens of cystines rotating more than 30<br>
degrees. Can I specify dihedral as proper(type 1) in<br>
place of RB type (type 3).</blockquote><br>
In some cases this can be due to interactions between the hydrogen and
another atom in the 4 position. The interactions are too strong for
what they actually should be, hence the LINCS error that you get.
Somewhere (I think in the manual or may be somewhere else) it mentions
that you can remove the 1-4 interactions (pairs) to stop that
happening.<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, Monash University<br>
381 Royal Parade, Parkville VIC 3010<br>
<font color="#0000FF"><u>dallas.warren@vcp.monash.edu.au<br>
</u></font>+61 3 9903 9083<br>
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