Hello, John1
I met same problem with my crd file. I tried to use carnal to calculate RMSD
with the first frame. Carnal only gave part of my all frame (250). Then I used
ptraj and gave right number. I am not sure what might be the problem. Anyway,
ptraj works. Hope this help.
aini
> >Dalmaris, John wrote:
> >
> >
> >
> >>Dear Amber Users,
> >>
> >>After a simulation I got 11764 frames. But when I used carnal to
> >>
> >>
> >calculate
> >
> >
> >>the RMSd using all my trajectory files (which should add up to 11764)
> >>
> >>
> >the
> >
> >
> >>output file gives me an iteration number of 9798. Does anyone have
> >>
> >>
> >any
> >
> >
> >>idea why this inconsistency?
> >>
> >>Thanks for the help.
> >>
> >>Best wishes,
> >>
> >>John
> >>
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> >
> >
>
> --
> Vlad Cojocaru
> Max Planck Institute for Biophysical Chemistry
> Department: 060
> Am Fassberg 11, 37077 Goettingen, Germany
> tel: ++49-551-201.1327
> e-mail: Vlad.Cojocaru.mpi-bpc.mpg.de
> home tel: ++49-551-9963204
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Received on Fri Oct 24 2003 - 14:53:00 PDT
