AMBER Archive (2003)

Subject: Re: Xleap: 'triangular' and 'square' bond

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Thu May 22 2003 - 08:00:58 CDT

Hi,
> Building proper torsion parameters.
> 1-4: angle 1 27 duplicates bond ('triangular' bond) or angle ('square' bond)
...I *believe* this occurs if you have some atoms (technically) connected
by a bond as well as an angle term, since you also get this messages
when generating prmtop files with an angle entry for TIP3P HOH-angle.

I can't tell whether this can cause problems in MD-runs.
I does not seem to do so with the TIP3P example.

good luck
Andreas
             
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