this is the script that i am using:
trajin ../PROD1.mdcrd
trajin ../PROD2.mdcrd
trajin ../PROD3.mdcrd
trajin ../PROD4.mdcrd
trajin ../PROD5.mdcrd
trajin ../PROD6.mdcrd
trajin ../PROD7.mdcrd
trajin ../PROD8.mdcrd
reference ../COM.x
rms reference :1-275 out rmsd.rec.out time 0.4
rms reference :276 out rmsd.lig.out time 0.4
rms reference :1-276 out rmsd.com.out time 0.4
Is it something wrong with it?
Best Regards,
Urszula Uciechowska
MSc.PhD Student
Medicinal Chemistry Group
University of Halle-Wittenberg
----- Original Message -----
From: Vlad Cojocaru <Vlad.Cojocaru.eml-r.villa-bosch.de>
Date: Monday, May 12, 2008 2:45 pm
Subject: Re: AMBER: rms
To: amber.scripps.edu
> Hi Urszula
>
> Could you tell us the script you are using to do that? My impression
> is
> that your mask is not correct.
>
> Best
> vlad
>
> Urszula Uciechowska wrote:
> > Dear Amber users,
> >
> > I am trying to calculate rms with ptraj, but after loading my
> trajectory files i keep
> > having
> >
> > ERROR in rms: KRMS_ reported Number of atoms less than 2
> >
> > and the program quits. What is wrong?
> > thanks a lot for any help
> >
> > Best Regards,
> > Urszula Uciechowska
> >
> > MSc.PhD Student
> > Medicinal Chemistry Group
> > University of Halle-Wittenberg
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>
> --
> ----------------------------------------------------------------------------
> Dr. Vlad Cojocaru
>
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>
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>
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>
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Received on Wed May 14 2008 - 06:07:21 PDT
