From: Salvatore Mario Cosseddu (S.M.Cosseddu_at_warwick.ac.uk)
Date: Thu Mar 01 2012 - 04:27:12 CST
Thank you, it's true!
Does this affect NAMD in any way? I read in the source that it creates a
new segment, is it right?
Do you suggest me to manipulate the files?
Regards
Salvatore
On 01/03/12 06:23, Chris Harrison wrote:
> Salvatore,
>
> It basically means that your psf/pdb pair has a residue possessing a
> resid value that is not in consecutive order with the preceeding
> residue. ie, you have a list of residues numbered as follows: 79,
> 80, 82, 81, 83 .... or something similar.
>
> Best,
> Chris
>
>
> On Mon, Feb 27, 2012 at 1:55 PM, Cosseddu, Salvatore
> <S.M.Cosseddu_at_warwick.ac.uk <mailto:S.M.Cosseddu_at_warwick.ac.uk>> wrote:
>
> Dear all,
>
> What does this warning actually mean?
>
> Warning: Residue 81 out of order in segment WAT, lookup for
> additional residues in this segment disabled.
> Warning: Residue 1 out of order in segment POT, lookup for
> additional residues in this segment disabled.
> Warning: Ignored 7523 bonds with zero force constants.
>
> Many thanks
>
> --
> Salvatore Cosseddu
> PhD student
>
> Centre for Scientific Computing and School of Engineering
> University of Warwick
> Coventry CV4 7AL
> United Kingdom
>
> email: S.M.Cosseddu_at_warwick.ac.uk <mailto:S.M.Cosseddu_at_warwick.ac.uk>
>
>
>
>
> --
> Chris Harrison, Ph.D.
> NIH Center for Macromolecular Modeling and Bioinformatics
> Theoretical and Computational Biophysics Group
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave., Urbana, IL 61801
>
> http://www.ks.uiuc.edu/Research/namd Voice: 773-570-6078
> http://www.ks.uiuc.edu/~char <http://www.ks.uiuc.edu/%7Echar>
> Fax: 217-244-6078
>
>
>
-- Salvatore Cosseddu PhD student Centre for Scientific Computing and School of Engineering University of Warwick Coventry CV4 7AL United Kingdom email: S.M.Cosseddu_at_warwick.ac.uk
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