On Thu, Sep 28, 2017 at 9:53 AM, jacky zhao <jackyzhao010.gmail.com> wrote:
> the input file:
> #RAC RMS average correlation
> parm wt_wat.parm7
> trajin wt_wat_md_1ms.crd
> strip :WAT,Na+,Cl-
> rmsavgcorr :3-218.N,CA,C out rmscorr_wt.dat mass reference wt.pdb offset 50
>
> the log messages:
> [strip :WAT,Na+,Cl-]
> STRIP: Stripping atoms in mask [:WAT,Na+,Cl-]
> [rmsavgcorr :3-208.N,CA,C out rmscorr_CH3_wt_2ms.dat mass reference
> wt.pdb offset 50]
> *Error: Reference index 0 not found.*
As the error message suggests, you haven't previously specified a
reference structure with the 'reference' command.
-Dan
> Warning: No reference specified; using first running-averaged frame for
> Warning: each window as reference.
> RMSAVGCORR: COORDS set [_DEFAULTCRD_], mask [:3-208.N,CA,C]
> (mass-weighted)
> Reference will be first running-averaged frame each window.
> Window size offset 50
> Output to rmscorr_CH3_wt_2ms.dat
>
>
>
>
>
> --
> Lei Zhao, Ph.D.
> International Joint Cancer Institute of the Second Military Medical
> University
> National Engineering Research Center for Antibody Medicine
> New Library Building 11th floor,800 Xiang Yin Road
> Shanghai 200433
> P.R.China
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Sep 28 2017 - 09:30:05 PDT
