Re: Weird dihedral error

From: Brian Bennion (brian_at_youkai.llnl.gov)
Date: Mon Apr 19 2004 - 12:22:35 CDT

Yes Ahmet I have seen this error. It occurs when the bonding is not
described correctly in the topology file. Some how you have misplaced
some bonds or added too many. psfgen will then take that bonding info and
and create several instances of the same dihedral. NAMD complains, but
since you are three levels away from the actual problem it is hard to
find.

Regards
Brian

On Sun, 18 Apr 2004, Ahmet Bakan wrote:

> Hi Brian,
> I have encountered the same problem. I searched the list bu could not find
> a solution. Did you find one?
> The problem emerged when I added some additional parameters for a model
> compound. Here are the new parameters:
> CT1 CA CA HP 3.1000 2 180.00
> CT1 CA CA CA 3.1000 2 180.00
> Thanks for your activitiy in the list,
> Ahmet
> ____________________________________________________
> Hello All,
> Anybody seen this interesting error before? I only have one
> CA CA CA CA entry in my par.inp file.
> Charm++ fatal error: FATAL ERROR:
> Multiplicity of Paramters for diehedral bond CA CA CA CA of 1 exceeded
> ==========ABC==========
> Ahmet Bakan
> Chemistry, Junior
> Koc University
> abakan_at_ku.edu.tr
> ICQ #86167698
> http://home.ku.edu.tr/~abakan
>
>

*****************************************************************
**Brian Bennion, Ph.D. **
**Computational and Systems Biology Division **
**Biology and Biotechnology Research Program **
**Lawrence Livermore National Laboratory **
**P.O. Box 808, L-448 bennion1_at_llnl.gov **
**7000 East Avenue phone: (925) 422-5722 **
**Livermore, CA 94550 fax: (925) 424-6605 **
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