Dear all,
I think that I found a formula which works, in xmgrace:
Data>transformations>evaluate expression...then in the formula field:
y=(y<-100)*(y+360)+(y>=-100)*y
Best wishes,
Baptiste
Le 07/01/2011 15:23, Baptiste Legrand a écrit :
> Dear all,
>
> I'm following the tutorial B3 (section 6) to analyse the dihedral
> angles of my molecule during a simulation. I'm not familiar with
> xmgrace to reproduce the plot "dihedral angle versus frame number",
> can I have more details on how to clean the -180 to + 180 jump with
> xmgrace? Thanks.
>
> In the tutorial:
> I won't go into details on how to do this here but suffice to say you
> can do it in xmgrace with some code like:
>
> dihedral cleanup was done using transformations: evaluate expression:
> y = (y< -100) ? y=y+360 : y
>
>
> Best wishes,
> Baptiste
>
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Received on Mon Jan 10 2011 - 01:30:04 PST
