From: Chris Harrison (charris5_at_gmail.com)
Date: Thu Mar 01 2012 - 00:23:26 CST
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> 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
>
-- 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 Fax: 217-244-6078
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