Sure, Thank you for your help, I will be grateful if you help me about my
second question too.
secondarystructuer-folded-ff10.gnu
<
https://drive.google.com/a/vt.edu/file/d/0BwxMdQ596dWgdndfN0dVZ0ZXSlE/view?usp=drive_web>
On Thu, Aug 11, 2016 at 12:05 PM, Adrian Roitberg <roitberg.ufl.edu> wrote:
> Dear Parviz.
>
> First, that seems like a gnuplot question, not amber. Second, can you
> attach the .gnu file so we can see what is happening ?
>
> Thanks
>
>
>
> On 8/11/16 12:03 PM, Parviz Seifpanahi Shabane wrote:
> > Dear Amber User,
> > I need to calculate the secondary structure(Para+Anti+Alpha+3-10+Pi) of
> my
> > protein vs time.I used this script (below).
> > parm 1WJB-OPC-FF10-folded.top
> > trajin 1WJB-OPC-FF10-folded.prod1.traj
> > secstruct :1-55 secstr-folded-ff10.dat out
> > secondarystructuer-folded-ff10.dat sumout average-folded-ff10.dat
> assignout
> > overall-folded-ff10.dat
> > and I got the file (secondarystructuer-folded-ff10.gnu), in this file
> each
> > kind of secondary structuer show with the number, I used the " gnuplot
> > secondarystructuer-folded-ff10.gnu" to see the graph and I got this
> error
> > "secondarystructuer-folded-ff10.gnu", line 2: invalid command".
> > dose any one knows what is the problem?
> > and how to get the graph (secondary structure(Para+Anti+Alpha+3-10+Pi)
> vs
> > time)?
> > Best Regrads
> > Parviz
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> --
> Dr. Adrian E. Roitberg
> University of Florida Research Foundation Professor.
> Department of Chemistry
> University of Florida
> roitberg.ufl.edu
> 352-392-6972
>
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Aug 11 2016 - 09:30:04 PDT
