From: Olya Kravchenko (okrav_at_ucdavis.edu)
Date: Tue May 11 2004 - 17:43:22 CDT
Tim, thanks for clarifying that for me. It works now!
Olya
On Monday 10 May 2004 10:01 pm, Tim Isgro wrote:
> Hi Olya,
> Make sure that the files you have specified for 'coordinates' (or
> 'bincoordinates') and 'fixedatomsfile' are the same, except for the fact
> that the 'fixedatomsfile' should have a '1.00' (anything other than '0.00'
> should work) in the beta or occupancy column (whichever you specify
> with 'fixedatomscolumn') for each atom you want to have fixed. The two
> files can be exactly the same one, since the coordinates command doesn't
> worry about the beta or occupancy columns.
> Tim
>
> On Thu, 6 May 2004, Olya Kravchenko wrote:
> > Hi all! I have the following problem. I'm trying to run dynamics for my
> > protein with backbone atoms fixed. I get the following error message:
> >
> > FATAL ERROR: Number of atoms in fixed atoms PDB doesn't match coordinate
> > PDB
> >
> > and then program quits. What am I doing wrong?
> >
> > Thanks!
> >
> > Olga
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